3-[2-(3,4-dimethylphenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 3-[2-(3,4-dimethylphenyl)sulfanylethoxy]benzoic acid Openeye Name: 3-[2-(3,4-dimethylphenyl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(3,4-dimethylphenyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(3,4-dimethylphenyl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(3,4-dimethylphenyl)thio]ethoxy]benzoic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCOC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCOC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C17H18O3S/c1-12-6-7-16(10-13(12)2)21-9-8-20-15-5-3-4-14(11-15)17(18)19/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)