4-(4-ethylphenyl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: 4-(4-ethylphenyl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: 4-(4-ethylphenyl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(4-ethylphenyl)thio]-3-oxobutanoate IUPAC Name: 4-(4-ethylphenyl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(4-ethylphenyl)thio]-3-keto-butyrate Formula: C12H13O3S- MolecularWeight: 237.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SCC(=O)CC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)SCC(=O)CC(=O)[O-]

InChI

InChI=1S/C12H14O3S/c1-2-9-3-5-11(6-4-9)16-8-10(13)7-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)/p-1