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 5 results

Search term: AMMRMSUGAMFLLR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
562653

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H33N7O2/c1-19-11-12-20-18-22(28(36)29-23(20)17-19)26(27-30-31-32-35(27)21-7-3-4-8-21)34-15-13-33(14-16-34)24-9-5-6-10-25(24)37-2/h5-6,9-12,17-18,21,26H,3-4,7-8,13-16H2,1-2H3,(H,29,36)
C28H33N7O2499.6073191100
973561

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H33N7O2/c1-19-11-12-20-18-22(28(36)29-23(20)17-19)26(27-30-31-32-35(27)21-7-3-4-8-21)34-15-13-33(14-16-34)24-9-5-6-10-25(24)37-2/h5-6,9-12,17-18,21,26H,3-4,7-8,13-16H2,1-2H3,(H,29,36)/t26-/m0/s1
C28H33N7O2499.60732100
973562

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H33N7O2/c1-19-11-12-20-18-22(28(36)29-23(20)17-19)26(27-30-31-32-35(27)21-7-3-4-8-21)34-15-13-33(14-16-34)24-9-5-6-10-25(24)37-2/h5-6,9-12,17-18,21,26H,3-4,7-8,13-16H2,1-2H3,(H,29,36)/t26-/m1/s1
C28H33N7O2499.60732100
5341575

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H33N7O2/c1-19-11-12-20-18-22(28(36)29-23(20)17-19)26(27-30-31-32-35(27)21-7-3-4-8-21)34-15-13-33(14-16-34)24-9-5-6-10-25(24)37-2/h5-6,9-12,17-18,21,26H,3-4,7-8,13-16H2,1-2H3,(H,29,36)/p+1/t26-/m0/s1
C28H34N7O2500.61471100
5341576

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H33N7O2/c1-19-11-12-20-18-22(28(36)29-23(20)17-19)26(27-30-31-32-35(27)21-7-3-4-8-21)34-15-13-33(14-16-34)24-9-5-6-10-25(24)37-2/h5-6,9-12,17-18,21,26H,3-4,7-8,13-16H2,1-2H3,(H,29,36)/p+1/t26-/m1/s1
C28H34N7O2500.61471100

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