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 9 results

Search term: PXDYILJJHOVNLO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8027158

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-,25-,26-,28+,29-,30-/m1/s1
C30H58N2O9590.7895191900
34998351

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3/t16-,17?,18+,19-,20-,21?,22-,23+,24?,25-,26-,28+,29-,30-/m1/s1
C30H58N2O9590.78952200
76920310

14 of 14 defined stereocentres - 14/14 defined

Non-standard isotope
InChI=1/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-,25-,26-,28+,29-,30-/m1/s1/i11D3
C30H55D3N2O9593.8082200
111312908

14 of 14 defined stereocentres - 14/14 defined

Non-standard isotope
InChI=1/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-,25-,26-,28+,29-,30-/m0/s1/i11D3
C30H55D3N2O9593.8081100
113588431

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3/t16-,17-,18+,19-,20-,21+,22-,23+,24-,25-,26-,28+,29-,30-/m0/s1
C30H58N2O9590.78951100
114813722

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3/t16-,17-,18-,19-,20-,21+,22-,23+,24-,25-,26-,28+,29-,30-/m1/s1
C30H58N2O9590.78951100
57462398

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3
C30H58N2O9590.78951100
76920309

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C30H58N2O9/c1-12-22-30(8,38)25(35)20(6)32(11)15-16(2)14-29(7,37)26(18(4)23(33)19(5)27(36)40-22)41-28-24(34)21(31(9)10)13-17(3)39-28/h16-26,28,33-35,37-38H,12-15H2,1-11H3/t16-,17-,18+,19-,20-,21-,22-,23+,24-,25-,26-,28+,29-,30-/m1/s1
C30H58N2O9590.78951100

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