2-methylsulfanylethyl 2-cyclohexa-1,4-dien-1-yl-2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: 2-methylsulfanylethyl 2-cyclohexa-1,4-dien-1-yl-2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: 2-methylsulfanylethyl 2-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-phenyl-acetate hydrochloride CAS Name: 2-(1-cyclohexa-1,4-dienyl)-2-hydroxy-2-phenylacetic acid 2-(methylthio)ethyl ester hydrochloride IUPAC Name: 2-methylsulfanylethyl 2-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-phenylacetate hydrochloride Traditional Name: 2-cyclohexa-1,4-dien-1-yl-2-hydroxy-2-phenyl-acetic acid 2-(methylthio)ethyl ester hydrochloride Formula: C17H21ClO3S MolecularWeight: 340.86484

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C(C1=CCC=CC1)(C2=CC=CC=C2)O.Cl

Isomeric SMILES

CSCCOC(=O)C(C1=CCC=CC1)(C2=CC=CC=C2)O.Cl

InChI

InChI=1S/C17H20O3S.ClH/c1-21-13-12-20-16(18)17(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15;/h2-6,8-9,11,19H,7,10,12-13H2,1H3;1H