Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 26 results

Search term: C68H126N2O23 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59651496

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1
C68H126N2O231339.72767700
16744952

Double-bond stereo

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59?,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1
C68H126N2O231339.72763200
17216300

Double-bond stereo

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60?,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72763200
59651481

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72762300
24846926

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48?,49?,50?,51?,53?,54-,55-,56+,57+,58+,59?,60?,61?,62+,63-,64-,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
24847062

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48?,49?,50?,51?,53?,54+,55-,56+,57+,58+,59?,60?,61?,62+,63-,64-,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
24847246

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48?,49?,50?,51?,53?,54-,55-,56-,57+,58+,59?,60?,61?,62-,63+,64+,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
24847374

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)58(82)62(51(43-74)90-66)91-68-61(85)64(56(80)50(42-73)89-68)93-65-53(69-45(3)75)63(55(79)49(41-72)87-65)92-67-59(83)57(81)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48?,49?,50?,51?,53?,54-,55+,56-,57-,58+,59?,60?,61?,62+,63+,64-,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
24847726

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)58(82)63(51(43-74)90-66)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)62(50(42-73)89-65)91-67-59(83)57(81)54(78)48(40-71)87-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48?,49?,50?,51?,53?,54-,55-,56+,57-,58+,59?,60?,61?,62-,63+,64-,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
24848326

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)58(82)62(51(43-74)90-66)91-67-61(85)64(56(80)50(42-73)88-67)93-68-60(84)63(55(79)49(41-72)89-68)92-65-53(69-45(3)75)57(81)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48?,49?,50?,51?,53?,54-,55-,56-,57+,58+,59?,60?,61?,62+,63-,64-,65-,66+,67-,68+/m0/s1
C68H126N2O231339.72761100
24848342

Double-bond stereo

14 of 22 defined stereocentres - 14/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)58(82)62(51(43-74)90-66)91-67-61(85)64(56(80)50(42-73)88-67)93-68-60(84)63(55(79)49(41-72)89-68)92-65-53(69-45(3)75)57(81)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48?,49?,50?,51?,53?,54+,55-,56-,57+,58+,59?,60?,61?,62+,63-,64-,65-,66+,67-,68+/m0/s1
C68H126N2O231339.72761100
59697011

Double-bond stereo

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36-/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60?,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
59697045

Double-bond stereo

21 of 22 defined stereocentres - 21/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36-/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59?,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1
C68H126N2O231339.72761100
76003862

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60-,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
76003883

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57+,58+,59-,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1
C68H126N2O231339.72761100
113382065

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-59(83)57(81)62(50(42-73)89-66)91-67-60(84)58(82)63(51(43-74)90-67)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)54(78)48(40-71)87-65/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54+,55-,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67-,68+/m0/s1
C68H126N2O231339.72761100
113382353

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)58(82)62(51(43-74)90-66)91-68-61(85)64(56(80)50(42-73)89-68)93-65-53(69-45(3)75)63(55(79)49(41-72)87-65)92-67-59(83)57(81)54(78)48(40-71)88-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55+,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
113382705

Double-bond stereo

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C68H126N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)58(82)63(51(43-74)90-66)92-68-61(85)64(55(79)49(41-72)88-68)93-65-53(69-45(3)75)56(80)62(50(42-73)89-65)91-67-59(83)57(81)54(78)48(40-71)87-67/h36,38,46-51,53-68,71-74,76,78-85H,4-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56+,57-,58+,59+,60+,61+,62+,63+,64-,65-,66+,67-,68-/m0/s1
C68H126N2O231339.72761100
12

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