2-(4-ethylsulfonylphenyl)sulfanylbenzoic acid

Systemtic Name: 2-(4-ethylsulfonylphenyl)sulfanylbenzoic acid Openeye Name: 2-(4-ethylsulfonylphenyl)sulfanylbenzoic acid CAS Name: 2-[(4-ethylsulfonylphenyl)thio]benzoic acid IUPAC Name: 2-(4-ethylsulfonylphenyl)sulfanylbenzoic acid Traditional Name: 2-[(4-esylphenyl)thio]benzoic acid Formula: C15H14O4S2 MolecularWeight: 322.39926

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H14O4S2/c1-2-21(18,19)12-9-7-11(8-10-12)20-14-6-4-3-5-13(14)15(16)17/h3-10H,2H2,1H3,(H,16,17)