methyl 3-phenylsulfanyl-4-sulfanyl-benzoate

Systemtic Name: methyl 3-phenylsulfanyl-4-sulfanyl-benzoate Openeye Name: methyl 3-phenylsulfanyl-4-sulfanyl-benzoate CAS Name: 4-mercapto-3-(phenylthio)benzoic acid methyl ester IUPAC Name: methyl 3-phenylsulfanyl-4-sulfanylbenzoate Traditional Name: 4-mercapto-3-(phenylthio)benzoic acid methyl ester Formula: C14H12O2S2 MolecularWeight: 276.37388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)S)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)S)SC2=CC=CC=C2

InChI

InChI=1S/C14H12O2S2/c1-16-14(15)10-7-8-12(17)13(9-10)18-11-5-3-2-4-6-11/h2-9,17H,1H3