2-(phenylsulfonyl)dodecanoic acid

Systemtic Name: 2-(phenylsulfonyl)dodecanoic acid Openeye Name: 2-(benzenesulfonyl)dodecanoic acid CAS Name: 2-(benzenesulfonyl)dodecanoic acid IUPAC Name: 2-(benzenesulfonyl)dodecanoic acid Traditional Name: 2-besyllauric acid Formula: C18H28O4S MolecularWeight: 340.47752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O4S/c1-2-3-4-5-6-7-8-12-15-17(18(19)20)23(21,22)16-13-10-9-11-14-16/h9-11,13-14,17H,2-8,12,15H2,1H3,(H,19,20)