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: LWCMITUCQRJZGP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
149592

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O8S/c1-20-7-6-13(23)8-12(20)2-3-14-15-4-5-16(18(25)10-29-30(26,27)28)21(15,11-22)9-17(24)19(14)20/h8,11,14-17,19,24H,2-7,9-10H2,1H3,(H,26,27,28)/t14-,15-,16+,17-,19+,20-,21+/m0/s1
C21H28O8S440.50723300
19991096

Charge

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H28O8S/c1-20-7-6-13(23)8-12(20)2-3-14-15-4-5-16(18(25)10-29-30(26,27)28)21(15,11-22)9-17(24)19(14)20/h8,11,14-17,19,24H,2-7,9-10H2,1H3,(H,26,27,28)/p-1/t14-,15-,16+,17-,19+,20-,21+/m0/s1
C21H27O8S439.49981100
58817372

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C21H28O8S/c1-20-7-6-13(23)8-12(20)2-3-14-15-4-5-16(18(25)10-29-30(26,27)28)21(15,11-22)9-17(24)19(14)20/h8,11,14-17,19,24H,2-7,9-10H2,1H3,(H,26,27,28)/t14-,15-,16+,17-,19+,20-,21?/m0/s1
C21H28O8S440.50721100

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