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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: QHOUDEZPFKDYIG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21613642

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-53H,15-18H2,1-10H3/b12-11+,19-14+,22-13-,28-20-,45-33+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94024300
58896257

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-53H,15-18H2,1-10H3/b12-11-,19-14-,22-13-,28-20-,45-33-/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94022200
114552605

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-53H,15-18H2,1-10H3/b12-11-,19-14-,22-13-,28-20-,45-33-/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m1/s1
C43H58N4O12822.94021100
114957555

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-53H,15-18H2,1-10H3/b12-11+,19-14+,22-13-,28-20-,45-33-/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94021100
116085318

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-53H,15-18H2,1-10H3/b12-11-,19-14-,22-13-,28-20-,45-33+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94021100
25021754

Charge

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-53H,15-18H2,1-10H3/p+1/b12-11-,19-14-,22-13+,28-20-,45-33+
C43H59N4O12823.94761100
21433960

Charge

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-53H,15-18H2,1-10H3/p+1/b12-11+,19-14+,22-13-,28-20-,45-33-
C43H59N4O12823.9481600000011100

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