7-(3,4-dichlorophenyl)-2-(phenylsulfonyl)heptanoic acid

Systemtic Name: 7-(3,4-dichlorophenyl)-2-(phenylsulfonyl)heptanoic acid Openeye Name: 2-(benzenesulfonyl)-7-(3,4-dichlorophenyl)heptanoic acid CAS Name: 2-(benzenesulfonyl)-7-(3,4-dichlorophenyl)heptanoic acid IUPAC Name: 2-(benzenesulfonyl)-7-(3,4-dichlorophenyl)heptanoic acid Traditional Name: 2-besyl-7-(3,4-dichlorophenyl)enanthic acid Formula: C19H20Cl2O4S MolecularWeight: 415.3307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl2O4S/c20-16-12-11-14(13-17(16)21)7-3-1-6-10-18(19(22)23)26(24,25)15-8-4-2-5-9-15/h2,4-5,8-9,11-13,18H,1,3,6-7,10H2,(H,22,23)