methyl 3-(2-hydroxyethyloxymethyl)-4,6-bis(oxidanylidene)-2-phenylsulfanyl-cyclohexene-1-carboxylate

Systemtic Name: methyl 3-(2-hydroxyethyloxymethyl)-4,6-bis(oxidanylidene)-2-phenylsulfanyl-cyclohexene-1-carboxylate Openeye Name: methyl 3-(2-hydroxyethoxymethyl)-4,6-dioxo-2-phenylsulfanyl-cyclohexene-1-carboxylate CAS Name: 3-(2-hydroxyethoxymethyl)-4,6-dioxo-2-(phenylthio)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-hydroxyethoxymethyl)-4,6-dioxo-2-phenylsulfanylcyclohexene-1-carboxylate Traditional Name: 3-(2-hydroxyethoxymethyl)-4,6-diketo-2-(phenylthio)cyclohexene-1-carboxylic acid methyl ester Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(C(=O)CC1=O)COCCO)SC2=CC=CC=C2

InChI

InChI=1S/C17H18O6S/c1-22-17(21)15-14(20)9-13(19)12(10-23-8-7-18)16(15)24-11-5-3-2-4-6-11/h2-6,12,18H,7-10H2,1H3