3-oxidanylidene-4-[(E)-2-[2-(sulfinylmethyl)phenyl]ethenyl]sulfanyl-butanoic acid

Systemtic Name: 3-oxidanylidene-4-[(E)-2-[2-(sulfinylmethyl)phenyl]ethenyl]sulfanyl-butanoic acid Openeye Name: 3-oxo-4-[(E)-2-[2-(sulfinylmethyl)phenyl]vinyl]sulfanyl-butanoic acid CAS Name: 3-oxo-4-[[(E)-2-[2-(sulfinylmethyl)phenyl]ethenyl]thio]butanoic acid IUPAC Name: 3-oxo-4-[(E)-2-[2-(sulfinylmethyl)phenyl]ethenyl]sulfanylbutanoic acid Traditional Name: 3-keto-4-[[(E)-2-[2-(sulfinylmethyl)phenyl]vinyl]thio]butyric acid Formula: C13H12O4S2 MolecularWeight: 296.36198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CSCC(=O)CC(=O)O)C=S=O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/SCC(=O)CC(=O)O)C=S=O

InChI

InChI=1S/C13H12O4S2/c14-12(7-13(15)16)9-18-6-5-10-3-1-2-4-11(10)8-19-17/h1-6,8H,7,9H2,(H,15,16)/b6-5+