(2,3,6-trimethylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2,3,6-trimethylphenyl) ester Formula: C23H21ClO2S MolecularWeight: 396.92964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C23H21ClO2S/c1-15-4-5-16(2)22(17(15)3)26-23(25)19-8-6-18(7-9-19)14-27-21-12-10-20(24)11-13-21/h4-13H,14H2,1-3H3