2-[2-(4-methylphenyl)ethylsulfonyl]-7-phenyl-heptanoic acid

Systemtic Name: 2-[2-(4-methylphenyl)ethylsulfonyl]-7-phenyl-heptanoic acid Openeye Name: 7-phenyl-2-[2-(p-tolyl)ethylsulfonyl]heptanoic acid CAS Name: 2-[2-(4-methylphenyl)ethylsulfonyl]-7-phenylheptanoic acid IUPAC Name: 2-[2-(4-methylphenyl)ethylsulfonyl]-7-phenylheptanoic acid Traditional Name: 7-phenyl-2-[2-(p-tolyl)ethylsulfonyl]enanthic acid Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCS(=O)(=O)C(CCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCS(=O)(=O)C(CCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H28O4S/c1-18-12-14-20(15-13-18)16-17-27(25,26)21(22(23)24)11-7-3-6-10-19-8-4-2-5-9-19/h2,4-5,8-9,12-15,21H,3,6-7,10-11,16-17H2,1H3,(H,23,24)