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: NDJHSYAYSHRPJZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10484229

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H40O12/c1-13(2)35-11-18-23(36-14(3)4)20(31)21(32)27(37-18)39-26-19-17(9-10-34-26)22(24-28(19,12-29)40-24)38-25(33)15-5-7-16(30)8-6-15/h5-8,13-14,17-24,26-27,29-32H,9-12H2,1-4H3/t17-,18+,19-,20+,21+,22+,23+,24+,26+,27-,28-/m1/s1
C28H40O12568.616400
4319532

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C28H40O12/c1-13(2)35-11-18-23(36-14(3)4)20(31)21(32)27(37-18)39-26-19-17(9-10-34-26)22(24-28(19,12-29)40-24)38-25(33)15-5-7-16(30)8-6-15/h5-8,13-14,17-24,26-27,29-32H,9-12H2,1-4H3
C28H40O12568.6099999999982100
4645621

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H40O12/c1-13(2)35-11-18-23(36-14(3)4)20(31)21(32)27(37-18)39-26-19-17(9-10-34-26)22(24-28(19,12-29)40-24)38-25(33)15-5-7-16(30)8-6-15/h5-8,13-14,17-24,26-27,29-32H,9-12H2,1-4H3/t17-,18+,19-,20+,21+,22+,23+,24-,26+,27-,28?/m1/s1
C28H40O12568.612200

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