2-(2-carboxyphenyl)sulfanyl-3-ethyl-benzoic acid

Systemtic Name: 2-(2-carboxyphenyl)sulfanyl-3-ethyl-benzoic acid Openeye Name: 2-(2-carboxyphenyl)sulfanyl-3-ethyl-benzoic acid CAS Name: 2-[(2-carboxyphenyl)thio]-3-ethylbenzoic acid IUPAC Name: 2-(2-carboxyphenyl)sulfanyl-3-ethylbenzoic acid Traditional Name: 2-[(2-carboxyphenyl)thio]-3-ethyl-benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1SC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=CC(=C1SC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C16H14O4S/c1-2-10-6-5-8-12(16(19)20)14(10)21-13-9-4-3-7-11(13)15(17)18/h3-9H,2H2,1H3,(H,17,18)(H,19,20)