(E)-5-(4-methylsulfanylphenyl)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-5-(4-methylsulfanylphenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-(4-methylsulfanylphenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-5-[4-(methylthio)phenyl]-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-(4-methylsulfanylphenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-3-keto-5-[4-(methylthio)phenyl]pent-4-enoic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)CC(=O)O

InChI

InChI=1S/C12H12O3S/c1-16-11-6-3-9(4-7-11)2-5-10(13)8-12(14)15/h2-7H,8H2,1H3,(H,14,15)/b5-2+