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

Systemtic Name: 8-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-octanoic acid Openeye Name: 8-(2-methoxyphenyl)-2-(p-tolylsulfonyl)octanoic acid CAS Name: 8-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 8-(2-methoxyphenyl)-2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 8-(2-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=CC=C2OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C22H28O5S/c1-17-13-15-19(16-14-17)28(25,26)21(22(23)24)12-6-4-3-5-9-18-10-7-8-11-20(18)27-2/h7-8,10-11,13-16,21H,3-6,9,12H2,1-2H3,(H,23,24)