methyl 4-(4-oxidanyl-3-oxidanylidene-butyl)sulfanylbenzoate

Systemtic Name: methyl 4-(4-oxidanyl-3-oxidanylidene-butyl)sulfanylbenzoate Openeye Name: methyl 4-(4-hydroxy-3-oxo-butyl)sulfanylbenzoate CAS Name: 4-[(4-hydroxy-3-oxobutyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-(4-hydroxy-3-oxobutyl)sulfanylbenzoate Traditional Name: 4-[(4-hydroxy-3-keto-butyl)thio]benzoic acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SCCC(=O)CO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SCCC(=O)CO

InChI

InChI=1S/C12H14O4S/c1-16-12(15)9-2-4-11(5-3-9)17-7-6-10(14)8-13/h2-5,13H,6-8H2,1H3