2-(4-methylphenyl)sulfonyl-5-phenyl-heptanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-5-phenyl-heptanoic acid Openeye Name: 5-phenyl-2-(p-tolylsulfonyl)heptanoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-5-phenylheptanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-5-phenylheptanoic acid Traditional Name: 5-phenyl-2-tosyl-enanthic acid Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2

Isomeric SMILES

CCC(CCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C)C2=CC=CC=C2

InChI

InChI=1S/C20H24O4S/c1-3-16(17-7-5-4-6-8-17)11-14-19(20(21)22)25(23,24)18-12-9-15(2)10-13-18/h4-10,12-13,16,19H,3,11,14H2,1-2H3,(H,21,22)