2-[2-(2,5-dimethylphenyl)sulfanylethoxy]benzoic acid

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethoxy]benzoic acid Openeye Name: 2-[2-(2,5-dimethylphenyl)sulfanylethoxy]benzoic acid CAS Name: 2-[2-[(2,5-dimethylphenyl)thio]ethoxy]benzoic acid IUPAC Name: 2-[2-(2,5-dimethylphenyl)sulfanylethoxy]benzoic acid Traditional Name: 2-[2-[(2,5-dimethylphenyl)thio]ethoxy]benzoic acid Formula: C17H18O3S MolecularWeight: 302.38802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCCOC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCCOC2=CC=CC=C2C(=O)O

InChI

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