7-(3-chlorophenyl)-2-(4-methylphenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(3-chlorophenyl)-2-(4-methylphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(3-chlorophenyl)-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 7-(3-chlorophenyl)-2-(4-methylphenyl)sulfonylheptanoic acid IUPAC Name: 7-(3-chlorophenyl)-2-(4-methylphenyl)sulfonylheptanoic acid Traditional Name: 7-(3-chlorophenyl)-2-tosyl-enanthic acid Formula: C20H23ClO4S MolecularWeight: 394.91222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C20H23ClO4S/c1-15-10-12-18(13-11-15)26(24,25)19(20(22)23)9-4-2-3-6-16-7-5-8-17(21)14-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3,(H,22,23)