2-[2-(4-methylsulfanylphenyl)ethoxycarbonyl]benzoic acid

Systemtic Name: 2-[2-(4-methylsulfanylphenyl)ethoxycarbonyl]benzoic acid Openeye Name: 2-[2-(4-methylsulfanylphenyl)ethoxycarbonyl]benzoic acid CAS Name: 2-[2-[4-(methylthio)phenyl]ethoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-(4-methylsulfanylphenyl)ethoxycarbonyl]benzoic acid Traditional Name: 2-[2-[4-(methylthio)phenyl]ethoxycarbonyl]benzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H16O4S/c1-22-13-8-6-12(7-9-13)10-11-21-17(20)15-5-3-2-4-14(15)16(18)19/h2-9H,10-11H2,1H3,(H,18,19)