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
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Found 2 results

Search term: TWMCHZWQCIWSNW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10117449

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H21F3N2O4S/c23-22(24,25)16-3-1-2-14(7-16)17-4-5-18-15-6-13(9-27(18)21(17)31)8-26(10-15)19(28)11-32-12-20(29)30/h1-5,7,13,15H,6,8-12H2,(H,29,30)/t13-,15+/m0/s1
C22H21F3N2O4S466.47339600
10117448

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H21F3N2O4S/c23-22(24,25)16-3-1-2-14(7-16)17-4-5-18-15-6-13(9-27(18)21(17)31)8-26(10-15)19(28)11-32-12-20(29)30/h1-5,7,13,15H,6,8-12H2,(H,29,30)/p-1/t13-,15+/m0/s1
C22H20F3N2O4S465.4661100

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