(2-tert-butyl-4-methyl-phenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: (2-tert-butyl-4-methyl-phenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: (2-tert-butyl-4-methyl-phenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-tert-butyl-4-methylphenyl) ester IUPAC Name: (2-tert-butyl-4-methylphenyl) 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid (2-tert-butyl-4-methyl-phenyl) ester Formula: C25H25ClO2S MolecularWeight: 424.9828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25ClO2S/c1-17-5-14-23(22(15-17)25(2,3)4)28-24(27)19-8-6-18(7-9-19)16-29-21-12-10-20(26)11-13-21/h5-15H,16H2,1-4H3