2-(2-carboxyphenyl)sulfanyl-5-methyl-benzoic acid

Systemtic Name: 2-(2-carboxyphenyl)sulfanyl-5-methyl-benzoic acid Openeye Name: 2-(2-carboxyphenyl)sulfanyl-5-methyl-benzoic acid CAS Name: 2-[(2-carboxyphenyl)thio]-5-methylbenzoic acid IUPAC Name: 2-(2-carboxyphenyl)sulfanyl-5-methylbenzoic acid Traditional Name: 2-[(2-carboxyphenyl)thio]-5-methyl-benzoic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C15H12O4S/c1-9-6-7-13(11(8-9)15(18)19)20-12-5-3-2-4-10(12)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)