2-(4-methylphenyl)sulfonyl-9-phenyl-nonanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-9-phenyl-nonanoic acid Openeye Name: 9-phenyl-2-(p-tolylsulfonyl)nonanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-9-phenylnonanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-9-phenylnonanoic acid Traditional Name: 9-phenyl-2-tosyl-pelargonic 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(CCCCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H28O4S/c1-18-14-16-20(17-15-18)27(25,26)21(22(23)24)13-9-4-2-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-12,14-17,21H,2-4,6,9-10,13H2,1H3,(H,23,24)