4-[1-(4-methoxycarbonylphenyl)-3-oxidanylidene-propan-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(4-methoxycarbonylphenyl)-3-oxidanylidene-propan-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-formyl-2-(4-methoxycarbonylphenyl)ethyl]sulfanylbutanoic acid CAS Name: 4-[[1-(4-methoxycarbonylphenyl)-3-oxopropan-2-yl]thio]butanoic acid IUPAC Name: 4-[1-(4-methoxycarbonylphenyl)-3-oxopropan-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(4-carbomethoxybenzyl)-2-keto-ethyl]thio]butyric acid Formula: C15H18O5S MolecularWeight: 310.36542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(C=O)SCCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC(C=O)SCCCC(=O)O

InChI

InChI=1S/C15H18O5S/c1-20-15(19)12-6-4-11(5-7-12)9-13(10-16)21-8-2-3-14(17)18/h4-7,10,13H,2-3,8-9H2,1H3,(H,17,18)