2-[3-(2-methylphenyl)sulfonylphenyl]pentanoic acid

Systemtic Name: 2-[3-(2-methylphenyl)sulfonylphenyl]pentanoic acid Openeye Name: 2-[3-(o-tolylsulfonyl)phenyl]pentanoic acid CAS Name: 2-[3-(2-methylphenyl)sulfonylphenyl]pentanoic acid IUPAC Name: 2-[3-(2-methylphenyl)sulfonylphenyl]pentanoic acid Traditional Name: 2-[3-(o-tolylsulfonyl)phenyl]valeric acid Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)S(=O)(=O)C2=CC=CC=C2C)C(=O)O

Isomeric SMILES

CCCC(C1=CC(=CC=C1)S(=O)(=O)C2=CC=CC=C2C)C(=O)O

InChI

InChI=1S/C18H20O4S/c1-3-7-16(18(19)20)14-9-6-10-15(12-14)23(21,22)17-11-5-4-8-13(17)2/h4-6,8-12,16H,3,7H2,1-2H3,(H,19,20)