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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 10 results

Search term: C64H102O33 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
82826997

37 of 37 defined stereocentres - 37/37 defined
InChI=1/C64H102O33/c1-24-34(69)40(75)47(95-52-45(80)41(76)46(25(2)90-52)94-50-42(77)37(72)31(20-86-50)93-55-48(81)64(85,23-88-55)22-87-51-43(78)38(73)35(70)29(18-65)91-51)54(89-24)97-57(84)62-13-12-58(3,4)16-27(62)26-8-9-32-59(5)17-28(68)49(96-53-44(79)39(74)36(71)30(19-66)92-53)61(7,56(82)83)33(59)10-11-60(32,6)63(26,21-67)15-14-62/h8,24-25,27-55,65-81,85H,9-23H2,1-7H3,(H,82,83)/t24-,25-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51+,52-,53-,54-,55-,59+,60+,61-,62-,63-,64+/m0/s1
C64H102O331399.47495400
8164673

38 of 39 defined stereocentres - 38/39 defined
InChI=1/C64H102O33/c1-23-15-63(96-53(23)83)16-24(2)64(97-63)14-10-28-26-7-8-34-60(4,27(26)9-13-62(28,64)6)12-11-35(61(34,5)22-68)91-55-47(81)44(78)40(74)33(90-55)21-85-57-50(37(71)29(69)20-84-57)94-59-52(95-54-46(80)42(76)36(70)25(3)86-54)49(41(75)32(19-67)89-59)92-58-51(45(79)39(73)31(18-66)88-58)93-56-48(82)43(77)38(72)30(17-65)87-56/h23-25,28-52,54-59,65-82H,7-22H2,1-6H3/t23-,24-,25+,28+,29+,30-,31-,32-,33-,34-,35+,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46-,47-,48-,49+,50-,51-,52-,54+,55+,56+,57+,58+,59+,60-,61?,62+,63+,64+/m1/s1
C64H102O331399.47492100
8278528

35 of 37 defined stereocentres - 35/37 defined
InChI=1/C64H102O33/c1-24-34(71)39(76)46(95-52-43(80)45(93-55-48(81)64(85,22-68)23-87-55)44(25(2)89-52)92-50-41(78)35(72)29(70)20-86-50)53(88-24)97-57(84)62-13-12-58(3,4)16-27(62)26-8-9-32-59(5)17-28(69)49(61(7,56(82)83)33(59)10-11-60(32,6)63(26,21-67)15-14-62)96-54-47(40(77)37(74)31(19-66)91-54)94-51-42(79)38(75)36(73)30(18-65)90-51/h8,24-25,27-55,65-81,85H,9-23H2,1-7H3,(H,82,83)/t24-,25+,27?,28+,29-,30-,31-,32-,33?,34+,35+,36-,37-,38+,39+,40+,41-,42-,43-,44+,45+,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+,59-,60-,61+,62+,63+,64-/m1/s1
C64H102O331399.47492100
8549726

34 of 37 defined stereocentres - 34/37 defined
InChI=1/C64H102O33/c1-24-35(71)41(77)48(94-53-45(81)47(91-34-18-64(85,23-68)57(84)92-34)46(25(2)88-53)93-50-42(78)36(72)29(70)21-86-50)54(87-24)97-56(83)62-13-12-58(3,4)16-27(62)26-8-9-32-59(5)17-28(69)49(95-51-43(79)39(75)37(73)30(19-65)89-51)61(7,33(59)10-11-60(32,6)63(26,22-67)15-14-62)55(82)96-52-44(80)40(76)38(74)31(20-66)90-52/h8,24-25,27-54,57,65-81,84-85H,9-23H2,1-7H3/t24-,25+,27?,28+,29-,30-,31+,32?,33?,34-,35+,36+,37-,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+,50+,51+,52+,53+,54+,57-,59-,60-,61+,62+,63+,64-/m1/s1
C64H102O331399.47492100
9248438

38 of 38 defined stereocentres - 38/38 defined
InChI=1/C64H102O33/c1-8-27(69)29-15-23(2)64(97-29)16-35(71)63(7)26-9-10-34-60(4,25(26)11-14-62(63,64)6)13-12-36(61(34,5)22-68)92-55-48(83)45(80)41(76)33(91-55)21-86-57-51(38(73)28(70)20-85-57)95-59-53(96-54-47(82)43(78)37(72)24(3)87-54)50(42(77)32(19-67)90-59)93-58-52(46(81)40(75)31(18-66)89-58)94-56-49(84)44(79)39(74)30(17-65)88-56/h23-24,28-34,36-59,65-68,70,72-84H,8-22H2,1-7H3/t23-,24+,28+,29+,30-,31-,32-,33-,34-,36+,37+,38+,39-,40-,41-,42-,43-,44+,45+,46+,47-,48-,49-,50+,51-,52-,53-,54+,55+,56+,57+,58+,59+,60-,61-,62+,63-,64+/m1/s1
C64H102O331399.47492100
30788563

36 of 38 defined stereocentres - 36/38 defined
InChI=1/C64H102O33/c1-23-34(70)40(76)49(95-53-45(81)41(77)47(24(2)89-53)93-52-46(82)48(94-51-42(78)35(71)28(69)20-86-51)31(21-87-52)92-54-43(79)38(74)36(72)29(18-65)90-54)56(88-23)97-58(85)63-13-12-59(3,4)16-26(63)25-8-9-32-60(5)17-27(68)50(96-55-44(80)39(75)37(73)30(19-66)91-55)62(7,57(83)84)33(60)10-11-61(32,6)64(25,22-67)15-14-63/h8,23-24,26-56,65-82H,9-22H2,1-7H3,(H,83,84)/t23-,24+,26?,27-,28-,29+,30+,31+,32?,33+,34+,35-,36-,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,49-,50-,51-,52-,53+,54-,55-,56+,60+,61+,62-,63-,64-/m0/s1
C64H102O331399.47492200
30788594

35 of 37 defined stereocentres - 35/37 defined
InChI=1/C64H102O33/c1-24-34(70)40(76)47(95-50-44(80)41(77)45(25(2)89-50)93-53-46(94-51-42(78)38(74)35(71)29(18-65)90-51)37(73)31(20-86-53)92-55-48(81)64(85,22-68)23-87-55)54(88-24)97-57(84)62-13-12-58(3,4)16-27(62)26-8-9-32-59(5)17-28(69)49(96-52-43(79)39(75)36(72)30(19-66)91-52)61(7,56(82)83)33(59)10-11-60(32,6)63(26,21-67)15-14-62/h8,24-25,27-55,65-81,85H,9-23H2,1-7H3,(H,82,83)/t24-,25+,27?,28-,29-,30+,31+,32?,33+,34+,35+,36+,37-,38+,39-,40+,41+,42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52-,53-,54+,55-,59+,60+,61-,62-,63-,64+/m0/s1
C64H102O331399.47492200
71044162

36 of 38 defined stereocentres - 36/38 defined
InChI=1/C64H102O33/c1-23-46(92-51-43(80)34(71)27(69)21-86-51)42(79)45(82)52(88-23)93-47-35(72)28(70)22-87-54(47)97-58(85)64-14-12-59(2,3)16-25(64)24-8-9-32-60(4)17-26(68)50(63(7,57(83)84)33(60)10-11-62(32,6)61(24,5)13-15-64)96-56-49(41(78)38(75)31(20-67)91-56)95-55-48(40(77)37(74)30(19-66)90-55)94-53-44(81)39(76)36(73)29(18-65)89-53/h8,23,25-56,65-82H,9-22H2,1-7H3,(H,83,84)/t23-,25-,26-,27+,28-,29+,30+,31+,32?,33?,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44+,45+,46-,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,60+,61+,62+,63-,64-/m0/s1
C64H102O331399.47491200
113610153

37 of 37 defined stereocentres - 37/37 defined
InChI=1/C64H102O33/c1-24-34(69)40(75)47(95-52-45(80)41(76)46(25(2)90-52)94-50-42(77)37(72)31(20-86-50)93-55-48(81)64(85,23-88-55)22-87-51-43(78)38(73)35(70)29(18-65)91-51)54(89-24)97-57(84)62-13-12-58(3,4)16-27(62)26-8-9-32-59(5)17-28(68)49(96-53-44(79)39(74)36(71)30(19-66)92-53)61(7,56(82)83)33(59)10-11-60(32,6)63(26,21-67)15-14-62/h8,24-25,27-55,65-81,85H,9-23H2,1-7H3,(H,82,83)/t24-,25-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36+,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-,47-,48+,49-,50+,51-,52+,53+,54+,55+,59+,60+,61-,62+,63-,64+/m0/s1
C64H102O331399.47491100
114544910

37 of 37 defined stereocentres - 37/37 defined
InChI=1/C64H102O33/c1-24-34(69)40(75)47(95-52-45(80)41(76)46(25(2)90-52)94-50-42(77)37(72)31(20-86-50)93-55-48(81)64(85,23-88-55)22-87-51-43(78)38(73)35(70)29(18-65)91-51)54(89-24)97-57(84)62-13-12-58(3,4)16-27(62)26-8-9-32-59(5)17-28(68)49(96-53-44(79)39(74)36(71)30(19-66)92-53)61(7,56(82)83)33(59)10-11-60(32,6)63(26,21-67)15-14-62/h8,24-25,27-55,65-81,85H,9-23H2,1-7H3,(H,82,83)/t24-,25-,27-,28-,29+,30+,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41-,42+,43+,44+,45+,46-,47+,48-,49-,50-,51+,52-,53-,54-,55-,59+,60+,61-,62-,63-,64+/m1/s1
C64H102O331399.47491100

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