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: PNRWKVJLHGHICL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9505362

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H35FN2O5/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
C33H35FN2O5558.63985400
9332329

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H35FN2O5/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26?,27-/m1/s1
C33H35FN2O5558.63982100
34964331

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H35FN2O5/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1
C33H34FN2O5557.63241100

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