4-(4-methoxyphenyl)carbothioylsulfanylbutanoic acid

Systemtic Name: 4-(4-methoxyphenyl)carbothioylsulfanylbutanoic acid Openeye Name: 4-(4-methoxybenzenecarbothioyl)sulfanylbutanoic acid CAS Name: 4-[[(4-methoxyphenyl)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-(4-methoxybenzenecarbothioyl)sulfanylbutanoic acid Traditional Name: 4-[(4-methoxythiobenzoyl)thio]butyric acid Formula: C12H14O3S2 MolecularWeight: 270.36776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)SCCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)SCCCC(=O)O

InChI

InChI=1S/C12H14O3S2/c1-15-10-6-4-9(5-7-10)12(16)17-8-2-3-11(13)14/h4-7H,2-3,8H2,1H3,(H,13,14)