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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 7 results

Search term: SEQUCTGXHCVPLA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10472153

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-31,37-38,40-43,57-58,60-63H,9-16,18-24H2,1-8H3/t25-,26-,27-,28-,29+,30+,31-,37+,38+,40+,41+,42-,43+,45-,46-,47-,48+,49-,50+,51+,52+,53+,54-/m0/s1
C54H74N2O12943.17165500
3056330

0 of 23 defined stereocentres - 0/23 defined
InChI=1/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-31,37-38,40-43,57-58,60-63H,9-16,18-24H2,1-8H3
C54H74N2O12943.1715599999982100
5143379

15 of 23 defined stereocentres - 15/23 defined
InChI=1/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-31,37-38,40-43,57-58,60-63H,9-16,18-24H2,1-8H3/t25?,26?,27?,28?,29-,30-,31?,37-,38-,40?,41-,42+,43?,45+,46+,47+,48-,49+,50?,51-,52-,53-,54+/m0/s1
C54H74N2O12943.17162100
10142986

14 of 23 defined stereocentres - 14/23 defined
InChI=1/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-31,37-38,40-43,57-58,60-63H,9-16,18-24H2,1-8H3/t25?,26?,27?,28?,29-,30-,31?,37-,38-,40?,41?,42+,43?,45+,46+,47+,48-,49+,50?,51-,52-,53-,54+/m0/s1
C54H74N2O12943.17162200
28495233

16 of 23 defined stereocentres - 16/23 defined
InChI=1/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-31,37-38,40-43,57-58,60-63H,9-16,18-24H2,1-8H3/t25?,26?,27?,28?,29-,30-,31?,37-,38-,40?,41-,42+,43-,45+,46+,47+,48-,49+,50?,51-,52-,53-,54+/m0/s1
C54H74N2O12943.1715600000011100
30810097

19 of 23 defined stereocentres - 19/23 defined
InChI=1/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-31,37-38,40-43,57-58,60-63H,9-16,18-24H2,1-8H3/t25-,26+,27?,28?,29-,30-,31?,37-,38-,40-,41-,42+,43-,45?,46+,47+,48-,49+,50-,51-,52-,53-,54+/m0/s1
C54H74N2O12943.17161100
58842395

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C54H74N2O12/c1-25-30-16-43-52(65-43)37-12-10-28-14-34-36(19-47(28,7)50(37,62)22-39(59)49(30,52)24-64-53(25)40(60)20-44(3,4)67-53)56-33-13-27-9-11-29-31(46(27,6)18-35(33)55-34)15-38(58)48(8)32(29)17-42-51(48,63)26(2)54(66-42)41(61)21-45(5,23-57)68-54/h17,25-31,37-38,40-43,57-58,60-63H,9-16,18-24H2,1-8H3/t25-,26+,27+,28+,29+,30+,31+,37+,38+,40-,41+,42-,43+,45+,46-,47-,48+,49-,50-,51+,52+,53+,54-/m1/s1
C54H74N2O12943.17161100

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