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

Systemtic Name: 8-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(4-methoxyphenyl)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(4-methoxyphenyl)-2-tosyl-caprylic acid Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C22H28O5S/c1-17-9-15-20(16-10-17)28(25,26)21(22(23)24)8-6-4-3-5-7-18-11-13-19(27-2)14-12-18/h9-16,21H,3-8H2,1-2H3,(H,23,24)