ethyl 8-(4-chlorophenyl)-2-(3-methylphenyl)sulfonyl-octanoate

Systemtic Name: ethyl 8-(4-chlorophenyl)-2-(3-methylphenyl)sulfonyl-octanoate Openeye Name: ethyl 8-(4-chlorophenyl)-2-(m-tolylsulfonyl)octanoate CAS Name: 8-(4-chlorophenyl)-2-(3-methylphenyl)sulfonyloctanoic acid ethyl ester IUPAC Name: ethyl 8-(4-chlorophenyl)-2-(3-methylphenyl)sulfonyloctanoate Traditional Name: 8-(4-chlorophenyl)-2-(m-tolylsulfonyl)caprylic acid ethyl ester Formula: C23H29ClO4S MolecularWeight: 436.99196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C(CCCCCCC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)C

InChI

InChI=1S/C23H29ClO4S/c1-3-28-23(25)22(29(26,27)21-11-8-9-18(2)17-21)12-7-5-4-6-10-19-13-15-20(24)16-14-19/h8-9,11,13-17,22H,3-7,10,12H2,1-2H3