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

Systemtic Name: 7-methyl-2-(4-methylphenyl)sulfonyl-7-phenyl-octanoic acid Openeye Name: 7-methyl-7-phenyl-2-(p-tolylsulfonyl)octanoic acid CAS Name: 7-methyl-2-(4-methylphenyl)sulfonyl-7-phenyloctanoic acid IUPAC Name: 7-methyl-2-(4-methylphenyl)sulfonyl-7-phenyloctanoic acid Traditional Name: 7-methyl-7-phenyl-2-tosyl-caprylic acid Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O4S/c1-17-12-14-19(15-13-17)27(25,26)20(21(23)24)11-7-8-16-22(2,3)18-9-5-4-6-10-18/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3,(H,23,24)