2-(phenylsulfonyl)hexadecanoic acid

Systemtic Name: 2-(phenylsulfonyl)hexadecanoic acid Openeye Name: 2-(benzenesulfonyl)hexadecanoic acid CAS Name: 2-(benzenesulfonyl)hexadecanoic acid IUPAC Name: 2-(benzenesulfonyl)hexadecanoic acid Traditional Name: 2-besylpalmitic acid Formula: C22H36O4S MolecularWeight: 396.58384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-21(22(23)24)27(25,26)20-17-14-13-15-18-20/h13-15,17-18,21H,2-12,16,19H2,1H3,(H,23,24)