4-(decanoylamino)benzenesulfonic acid; sodium

Systemtic Name: 4-(decanoylamino)benzenesulfonic acid; sodium Openeye Name: 4-(decanoylamino)benzenesulfonic acid; sodium CAS Name: 4-(1-oxodecylamino)benzenesulfonic acid; sodium IUPAC Name: 4-(decanoylamino)benzenesulfonic acid; sodium Traditional Name: 4-(caprylamino)besylic acid; sodium Formula: C16H25NNaO4S MolecularWeight: 350.42877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)O.[Na]

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)O.[Na]

InChI

InChI=1S/C16H25NO4S.Na/c1-2-3-4-5-6-7-8-9-16(18)17-14-10-12-15(13-11-14)22(19,20)21;/h10-13H,2-9H2,1H3,(H,17,18)(H,19,20,21);