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 4 results

Search term: IWIJFUQFXLWZIA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
167759

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/t14-,15-,18+,19-,20-,21-/m0/s1
C21H28O8S440.50726500
361685

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C21H28O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H,26,27,28)
C21H28O8S440.50724300
19993513

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H28O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/p-1/t14-,15-,18+,19-,20-,21-/m0/s1
C21H27O8S439.49981100
58818363

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H28O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-15,18,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/t14-,15-,18+,19-,20?,21-/m0/s1
C21H28O8S440.50721100

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