8-(4-chlorophenyl)-2-(4-propylphenyl)sulfonyl-octanoic acid

Systemtic Name: 8-(4-chlorophenyl)-2-(4-propylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(4-chlorophenyl)-2-(4-propylphenyl)sulfonyl-octanoic acid CAS Name: 8-(4-chlorophenyl)-2-(4-propylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(4-chlorophenyl)-2-(4-propylphenyl)sulfonyloctanoic acid Traditional Name: 8-(4-chlorophenyl)-2-(4-propylphenyl)sulfonyl-caprylic acid Formula: C23H29ClO4S MolecularWeight: 436.99196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C23H29ClO4S/c1-2-7-18-12-16-21(17-13-18)29(27,28)22(23(25)26)9-6-4-3-5-8-19-10-14-20(24)15-11-19/h10-17,22H,2-9H2,1H3,(H,25,26)