7-(3,4-dichlorophenyl)-2-(4-methylphenyl)sulfonyl-heptanoic acid

Systemtic Name: 7-(3,4-dichlorophenyl)-2-(4-methylphenyl)sulfonyl-heptanoic acid Openeye Name: 7-(3,4-dichlorophenyl)-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 7-(3,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylheptanoic acid IUPAC Name: 7-(3,4-dichlorophenyl)-2-(4-methylphenyl)sulfonylheptanoic acid Traditional Name: 7-(3,4-dichlorophenyl)-2-tosyl-enanthic acid Formula: C20H22Cl2O4S MolecularWeight: 429.35728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22Cl2O4S/c1-14-7-10-16(11-8-14)27(25,26)19(20(23)24)6-4-2-3-5-15-9-12-17(21)18(22)13-15/h7-13,19H,2-6H2,1H3,(H,23,24)