2-(dodecanoylamino)-3-methoxy-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 2-(dodecanoylamino)-3-methoxy-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 2-(dodecanoylamino)-3-methoxy-3-oxo-propane-1-sulfonic acid CAS Name: 3-methoxy-3-oxo-2-(1-oxododecylamino)-1-propanesulfonic acid IUPAC Name: 2-(dodecanoylamino)-3-methoxy-3-oxopropane-1-sulfonic acid Traditional Name: 3-keto-2-(lauroylamino)-3-methoxy-propane-1-sulfonic acid Formula: C16H31NO6S MolecularWeight: 365.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CS(=O)(=O)O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CS(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C16H31NO6S/c1-3-4-5-6-7-8-9-10-11-12-15(18)17-14(16(19)23-2)13-24(20,21)22/h14H,3-13H2,1-2H3,(H,17,18)(H,20,21,22)