methyl 4-[(2,5-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(2,5-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(2,5-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(2,5-dimethylphenyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,5-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2,5-dimethylphenyl)thio]methyl]benzoic acid methyl ester Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H18O2S/c1-12-4-5-13(2)16(10-12)20-11-14-6-8-15(9-7-14)17(18)19-3/h4-10H,11H2,1-3H3