2-methyl-2-(phenylsulfonyl)octanoic acid

Systemtic Name: 2-methyl-2-(phenylsulfonyl)octanoic acid Openeye Name: 2-(benzenesulfonyl)-2-methyl-octanoic acid CAS Name: 2-(benzenesulfonyl)-2-methyloctanoic acid IUPAC Name: 2-(benzenesulfonyl)-2-methyloctanoic acid Traditional Name: 2-besyl-2-methyl-caprylic acid Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O4S/c1-3-4-5-9-12-15(2,14(16)17)20(18,19)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,16,17)