2-[2-(2,5-dimethylphenyl)sulfanylethoxy]benzoate

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfanylethoxy]benzoate Openeye Name: 2-[2-(2,5-dimethylphenyl)sulfanylethoxy]benzoate CAS Name: 2-[2-[(2,5-dimethylphenyl)thio]ethoxy]benzoate IUPAC Name: 2-[2-(2,5-dimethylphenyl)sulfanylethoxy]benzoate Traditional Name: 2-[2-[(2,5-dimethylphenyl)thio]ethoxy]benzoate Formula: C17H17O3S- MolecularWeight: 301.38008

Click to see the large picture

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)/p-1