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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 6 results

Search term: C51H80O23 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9357416

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C51H80O23/c1-7-25(55)27-14-22(2)51(74-27)15-31(57)49(6)24-8-9-30-46(3,23(24)10-13-48(49,51)5)12-11-32(47(30,4)19-53)71-42-38(63)36(61)35(60)29(70-42)18-67-43-39(33(58)26(56)17-66-43)72-44-40(37(62)34(59)28(16-52)69-44)73-45-41(64)50(65,20-54)21-68-45/h22,26-30,32-45,52-54,56,58-65H,7-21H2,1-6H3/t22-,26+,27-,28-,29-,30-,32+,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48+,49-,50-,51+/m1/s1
C51H80O231061.16714300
9237269

31 of 31 defined stereocentres - 31/31 defined
InChI=1/C51H80O23/c1-18-13-28(69-45(18)74-48-41(64)38(61)35(58)29(16-52)70-48)32(55)19(2)31-27(54)15-26-24-8-7-22-14-23(9-11-50(22,5)25(24)10-12-51(26,31)6)68-49-44(73-47-40(63)37(60)34(57)21(4)67-47)42(65)43(30(17-53)71-49)72-46-39(62)36(59)33(56)20(3)66-46/h7,18-21,23-26,28-31,33-49,52-53,56-65H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,28+,29-,30-,31+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45+,46+,47+,48+,49-,50+,51+/m1/s1
C51H80O231061.16713200
8526599

32 of 32 defined stereocentres - 32/32 defined
InChI=1/C51H80O23/c1-18-15-66-51(44(63)40(18)71-46-38(61)35(58)33(56)20(3)67-46)19(2)32-30(74-51)14-27-25-9-8-23-12-24(53)13-31(50(23,7)26(25)10-11-49(27,32)6)70-48-43(73-47-39(62)36(59)41(21(4)68-47)69-22(5)52)42(29(55)17-65-48)72-45-37(60)34(57)28(54)16-64-45/h8,18-21,24-48,53-63H,9-17H2,1-7H3/t18-,19-,20+,21-,24+,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-/m0/s1
C51H80O231061.16712100
23327163

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C51H80O23/c1-7-25(55)27-14-22(2)51(74-27)15-31(57)49(6)24-8-9-30-46(3,23(24)10-13-48(49,51)5)12-11-32(47(30,4)19-53)71-42-38(63)36(61)35(60)29(70-42)18-67-43-39(33(58)26(56)17-66-43)72-44-40(37(62)34(59)28(16-52)69-44)73-45-41(64)50(65,20-54)21-68-45/h22,26-30,32-45,52-54,56,58-65H,7-21H2,1-6H3/t22-,26+,27+,28-,29-,30-,32+,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48+,49-,50-,51+/m1/s1
C51H80O231061.16712200
28286503

24 of 30 defined stereocentres - 24/30 defined
InChI=1/C51H80O23/c1-20-7-12-51(65-19-20)21(2)32-27(74-51)14-26-24-6-5-22-13-23(8-10-49(22,3)25(24)9-11-50(26,32)4)66-45-40(63)37(60)42(30(17-54)69-45)72-48-44(73-47-39(62)36(59)34(57)29(16-53)68-47)41(64)43(31(18-55)70-48)71-46-38(61)35(58)33(56)28(15-52)67-46/h5,14,20-21,23-25,27-48,52-64H,6-13,15-19H2,1-4H3/t20?,21-,23-,24?,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+/m0/s1
C51H80O231061.16711100
71044153

23 of 25 defined stereocentres - 23/25 defined
InChI=1/C51H80O23/c1-46(2)11-13-51(45(67)74-43-37(65)35(63)33(61)26(19-53)69-43)14-12-49(5)22(23(51)16-46)7-8-29-47(3)17-24(56)41(48(4,21-55)28(47)9-10-50(29,49)6)73-44-38(66)40(71-31(59)15-30(57)58)39(27(20-54)70-44)72-42-36(64)34(62)32(60)25(18-52)68-42/h7,23-29,32-44,52-56,60-66H,8-21H2,1-6H3,(H,57,58)/t23-,24-,25+,26+,27+,28?,29?,32+,33+,34-,35-,36+,37+,38+,39+,40+,41-,42-,43-,44-,47-,48-,49+,50+,51-/m0/s1
C51H80O231061.16711400

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