4-[2-(2,4-dimethylphenyl)sulfanylethoxy]benzoate

Systemtic Name: 4-[2-(2,4-dimethylphenyl)sulfanylethoxy]benzoate Openeye Name: 4-[2-(2,4-dimethylphenyl)sulfanylethoxy]benzoate CAS Name: 4-[2-[(2,4-dimethylphenyl)thio]ethoxy]benzoate IUPAC Name: 4-[2-(2,4-dimethylphenyl)sulfanylethoxy]benzoate Traditional Name: 4-[2-[(2,4-dimethylphenyl)thio]ethoxy]benzoate Formula: C17H17O3S- MolecularWeight: 301.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCOC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)SCCOC2=CC=C(C=C2)C(=O)[O-])C

InChI

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