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

Systemtic Name: 8-phenyl-2-(4-propylphenyl)sulfonyl-octanoic acid Openeye Name: 8-phenyl-2-(4-propylphenyl)sulfonyl-octanoic acid CAS Name: 8-phenyl-2-(4-propylphenyl)sulfonyloctanoic acid IUPAC Name: 8-phenyl-2-(4-propylphenyl)sulfonyloctanoic acid Traditional Name: 8-phenyl-2-(4-propylphenyl)sulfonyl-caprylic acid Formula: C23H30O4S MolecularWeight: 402.5469

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O4S/c1-2-10-19-15-17-21(18-16-19)28(26,27)22(23(24)25)14-9-4-3-6-11-20-12-7-5-8-13-20/h5,7-8,12-13,15-18,22H,2-4,6,9-11,14H2,1H3,(H,24,25)