4-(4-methoxy-4-oxidanylidene-butyl)sulfanylbenzoic acid

Systemtic Name: 4-(4-methoxy-4-oxidanylidene-butyl)sulfanylbenzoic acid Openeye Name: 4-(4-methoxy-4-oxo-butyl)sulfanylbenzoic acid CAS Name: 4-[(4-methoxy-4-oxobutyl)thio]benzoic acid IUPAC Name: 4-(4-methoxy-4-oxobutyl)sulfanylbenzoic acid Traditional Name: 4-[(4-keto-4-methoxy-butyl)thio]benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

COC(=O)CCCSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H14O4S/c1-16-11(13)3-2-8-17-10-6-4-9(5-7-10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)