2-(4-carboxyphenyl)sulfanyl-6-methyl-benzoic acid

Systemtic Name: 2-(4-carboxyphenyl)sulfanyl-6-methyl-benzoic acid Openeye Name: 2-(4-carboxyphenyl)sulfanyl-6-methyl-benzoic acid CAS Name: 2-[(4-carboxyphenyl)thio]-6-methylbenzoic acid IUPAC Name: 2-(4-carboxyphenyl)sulfanyl-6-methylbenzoic acid Traditional Name: 2-[(4-carboxyphenyl)thio]-6-methyl-benzoic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)SC2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

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