2-(4-methylphenyl)sulfonyloctanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyloctanoic acid Openeye Name: 2-(p-tolylsulfonyl)octanoic acid CAS Name: 2-(4-methylphenyl)sulfonyloctanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyloctanoic acid Traditional Name: 2-tosylcaprylic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C15H22O4S/c1-3-4-5-6-7-14(15(16)17)20(18,19)13-10-8-12(2)9-11-13/h8-11,14H,3-7H2,1-2H3,(H,16,17)