5-methyl-2-phenylsulfanyl-benzoic acid

Systemtic Name: 5-methyl-2-phenylsulfanyl-benzoic acid Openeye Name: 5-methyl-2-phenylsulfanyl-benzoic acid CAS Name: 5-methyl-2-(phenylthio)benzoic acid IUPAC Name: 5-methyl-2-phenylsulfanylbenzoic acid Traditional Name: 5-methyl-2-(phenylthio)benzoic acid Formula: C14H12O2S MolecularWeight: 244.30888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O2S/c1-10-7-8-13(12(9-10)14(15)16)17-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)