3-[2-(3-chlorophenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(3-chlorophenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(3-chlorophenyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(3-chlorophenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(3-chlorophenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(3-chlorophenyl)thio]ethoxy]benzoic acid Formula: C15H13ClO3S MolecularWeight: 308.77992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCSC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OCCSC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C15H13ClO3S/c16-12-4-2-6-14(10-12)20-8-7-19-13-5-1-3-11(9-13)15(17)18/h1-6,9-10H,7-8H2,(H,17,18)