7-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-octanoic acid

Systemtic Name: 7-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 7-(p-tolyl)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 7-(4-methylphenyl)-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 7-(4-methylphenyl)-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 7-(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)C(C)CCCCC(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4S/c1-16-8-12-19(13-9-16)18(3)6-4-5-7-21(22(23)24)27(25,26)20-14-10-17(2)11-15-20/h8-15,18,21H,4-7H2,1-3H3,(H,23,24)