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 3 results

Search term: MMRWZOAXVYLIMG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4590011

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H44N6O5/c1-7-21-17(3)25-14-27-19(5)23(9-10-31(43)38-12-11-37)34(41-27)24(13-32(44)45)35-33(36(46)47)20(6)28(42-35)16-30-22(8-2)18(4)26(40-30)15-29(21)39-25/h14-16,19,23,39-40H,7-13,37H2,1-6H3,(H,38,43)(H,44,45)(H,46,47)/b25-14-,26-15-,27-14-,28-16-,29-15-,30-16-,34-24-,35-24-/t19-,23-/m0/s1
C36H44N6O5640.77186500
8614556

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C36H44N6O5/c1-7-21-17(3)25-14-27-19(5)23(9-10-31(43)38-12-11-37)34(41-27)24(13-32(44)45)35-33(36(46)47)20(6)28(42-35)16-30-22(8-2)18(4)26(40-30)15-29(21)39-25/h14-16,19,23,39-40H,7-13,37H2,1-6H3,(H,38,43)(H,44,45)(H,46,47)/b25-14-,26-15-,27-14-,28-16-,29-15-,30-16-,34-24-,35-24-
C36H44N6O5640.77183200
68024397

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C36H44N6O5/c1-7-21-17(3)25-14-27-19(5)23(9-10-31(43)38-12-11-37)34(41-27)24(13-32(44)45)35-33(36(46)47)20(6)28(42-35)16-30-22(8-2)18(4)26(40-30)15-29(21)39-25/h14-16,19,23,39-40H,7-13,37H2,1-6H3,(H,38,43)(H,44,45)(H,46,47)/b25-14-,26-15-,27-14-,28-16-,29-15-,30-16-,34-24-,35-24-/t19-,23-/m1/s1
C36H44N6O5640.77181100

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