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

Systemtic Name: 8-(4-chlorophenyl)-2-(4-ethylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(4-chlorophenyl)-2-(4-ethylphenyl)sulfonyl-octanoic acid CAS Name: 8-(4-chlorophenyl)-2-(4-ethylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(4-chlorophenyl)-2-(4-ethylphenyl)sulfonyloctanoic acid Traditional Name: 8-(4-chlorophenyl)-2-(4-ethylphenyl)sulfonyl-caprylic acid Formula: C22H27ClO4S MolecularWeight: 422.96538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C22H27ClO4S/c1-2-17-11-15-20(16-12-17)28(26,27)21(22(24)25)8-6-4-3-5-7-18-9-13-19(23)14-10-18/h9-16,21H,2-8H2,1H3,(H,24,25)