methyl 2-bromanyl-7-(4-chlorophenyl)-2-(4-methylphenyl)sulfanyl-heptanoate

Systemtic Name: methyl 2-bromanyl-7-(4-chlorophenyl)-2-(4-methylphenyl)sulfanyl-heptanoate Openeye Name: methyl 2-bromo-7-(4-chlorophenyl)-2-(p-tolylsulfanyl)heptanoate CAS Name: 2-bromo-7-(4-chlorophenyl)-2-[(4-methylphenyl)thio]heptanoic acid methyl ester IUPAC Name: methyl 2-bromo-7-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylheptanoate Traditional Name: 2-bromo-7-(4-chlorophenyl)-2-(p-tolylthio)enanthic acid methyl ester Formula: C21H24BrClO2S MolecularWeight: 455.83606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCC2=CC=C(C=C2)Cl)(C(=O)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCC2=CC=C(C=C2)Cl)(C(=O)OC)Br

InChI

InChI=1S/C21H24BrClO2S/c1-16-7-13-19(14-8-16)26-21(22,20(24)25-2)15-5-3-4-6-17-9-11-18(23)12-10-17/h7-14H,3-6,15H2,1-2H3