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 8 results

Search term: SJYXDVWYNHANDJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9117549

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C84H168O35Si7/c1-78(2,3)120(22,23)99-36-43-64-50(85)57(92)71(106-43)114-65-44(37-100-121(24,25)79(4,5)6)108-73(59(94)52(65)87)116-67-46(39-102-123(28,29)81(10,11)12)110-75(61(96)54(67)89)118-69-48(41-104-125(32,33)83(16,17)18)112-77(63(98)56(69)91)119-70-49(42-105-126(34,35)84(19,20)21)111-76(62(97)55(70)90)117-68-47(40-103-124(30,31)82(13,14)15)109-74(60(95)53(68)88)115-66-45(38-101-122(26,27)80(7,8)9)107-72(113-64)58(93)51(66)86/h43-77,85-98H,36-42H2,1-35H3/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m1/s1
C84H168O35Si71934.810228700
113642454

0 of 35 defined stereocentres - 0/35 defined
InChI=1/C84H168O35Si7/c1-78(2,3)120(22,23)99-36-43-64-50(85)57(92)71(106-43)114-65-44(37-100-121(24,25)79(4,5)6)108-73(59(94)52(65)87)116-67-46(39-102-123(28,29)81(10,11)12)110-75(61(96)54(67)89)118-69-48(41-104-125(32,33)83(16,17)18)112-77(63(98)56(69)91)119-70-49(42-105-126(34,35)84(19,20)21)111-76(62(97)55(70)90)117-68-47(40-103-124(30,31)82(13,14)15)109-74(60(95)53(68)88)115-66-45(38-101-122(26,27)80(7,8)9)107-72(113-64)58(93)51(66)86/h43-77,85-98H,36-42H2,1-35H3
C84H168O35Si71934.81022200
114798200

14 of 35 defined stereocentres - 14/35 defined
InChI=1/C84H168O35Si7/c1-78(2,3)120(22,23)99-36-43-64-50(85)57(92)71(106-43)114-65-44(37-100-121(24,25)79(4,5)6)108-73(59(94)52(65)87)116-67-46(39-102-123(28,29)81(10,11)12)110-75(61(96)54(67)89)118-69-48(41-104-125(32,33)83(16,17)18)112-77(63(98)56(69)91)119-70-49(42-105-126(34,35)84(19,20)21)111-76(62(97)55(70)90)117-68-47(40-103-124(30,31)82(13,14)15)109-74(60(95)53(68)88)115-66-45(38-101-122(26,27)80(7,8)9)107-72(113-64)58(93)51(66)86/h43-77,85-98H,36-42H2,1-35H3/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64-,65-,66+,67+,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+/m1/s1
C84H168O35Si71934.81021100
115271550

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C84H168O35Si7/c1-78(2,3)120(22,23)99-36-43-64-50(85)57(92)71(106-43)114-65-44(37-100-121(24,25)79(4,5)6)108-73(59(94)52(65)87)116-67-46(39-102-123(28,29)81(10,11)12)110-75(61(96)54(67)89)118-69-48(41-104-125(32,33)83(16,17)18)112-77(63(98)56(69)91)119-70-49(42-105-126(34,35)84(19,20)21)111-76(62(97)55(70)90)117-68-47(40-103-124(30,31)82(13,14)15)109-74(60(95)53(68)88)115-66-45(38-101-122(26,27)80(7,8)9)107-72(113-64)58(93)51(66)86/h43-77,85-98H,36-42H2,1-35H3/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m1/s1
C84H168O35Si71934.81021200
13181835

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C84H168O35Si7/c1-78(2,3)120(22,23)99-36-43-64-50(85)57(92)71(106-43)114-65-44(37-100-121(24,25)79(4,5)6)108-73(59(94)52(65)87)116-67-46(39-102-123(28,29)81(10,11)12)110-75(61(96)54(67)89)118-69-48(41-104-125(32,33)83(16,17)18)112-77(63(98)56(69)91)119-70-49(42-105-126(34,35)84(19,20)21)111-76(62(97)55(70)90)117-68-47(40-103-124(30,31)82(13,14)15)109-74(60(95)53(68)88)115-66-45(38-101-122(26,27)80(7,8)9)107-72(113-64)58(93)51(66)86/h43-77,85-98H,36-42H2,1-35H3/t43-,44-,45-,46-,47+,48+,49+,50+,51-,52+,53-,54-,55-,56-,57-,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m1/s1
C84H168O35Si71934.810221100
107442105

33 of 35 defined stereocentres - 33/35 defined
InChI=1/C84H168O35Si7/c1-78(2,3)120(22,23)99-36-43-64-50(85)57(92)71(106-43)114-65-44(37-100-121(24,25)79(4,5)6)108-73(59(94)52(65)87)116-67-46(39-102-123(28,29)81(10,11)12)110-75(61(96)54(67)89)118-69-48(41-104-125(32,33)83(16,17)18)112-77(63(98)56(69)91)119-70-49(42-105-126(34,35)84(19,20)21)111-76(62(97)55(70)90)117-68-47(40-103-124(30,31)82(13,14)15)109-74(60(95)53(68)88)115-66-45(38-101-122(26,27)80(7,8)9)107-72(113-64)58(93)51(66)86/h43-77,85-98H,36-42H2,1-35H3/t43-,44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,54?,55?,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m1/s1
C84H168O35Si71934.81021400
107451583

14 of 35 defined stereocentres - 14/35 defined
InChI=1/C84H168O35Si7/c1-78(2,3)120(22,23)99-36-43-64-50(85)57(92)71(106-43)114-65-44(37-100-121(24,25)79(4,5)6)108-73(59(94)52(65)87)116-67-46(39-102-123(28,29)81(10,11)12)110-75(61(96)54(67)89)118-69-48(41-104-125(32,33)83(16,17)18)112-77(63(98)56(69)91)119-70-49(42-105-126(34,35)84(19,20)21)111-76(62(97)55(70)90)117-68-47(40-103-124(30,31)82(13,14)15)109-74(60(95)53(68)88)115-66-45(38-101-122(26,27)80(7,8)9)107-72(113-64)58(93)51(66)86/h43-77,85-98H,36-42H2,1-35H3/t43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-/m0/s1
C84H168O35Si71934.81021100

Advertisement