8-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-octanoic acid

Systemtic Name: 8-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(p-tolyl)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-(4-methylphenyl)-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(4-methylphenyl)-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(p-tolyl)-2-tosyl-caprylic acid Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)CCCCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H28O4S/c1-17-9-13-19(14-10-17)7-5-3-4-6-8-21(22(23)24)27(25,26)20-15-11-18(2)12-16-20/h9-16,21H,3-8H2,1-2H3,(H,23,24)