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

Systemtic Name: 3-methoxy-2-(octadecanoylamino)-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-methoxy-2-(octadecanoylamino)-3-oxo-propane-1-sulfonic acid CAS Name: 3-methoxy-3-oxo-2-(1-oxooctadecylamino)-1-propanesulfonic acid IUPAC Name: 3-methoxy-2-(octadecanoylamino)-3-oxopropane-1-sulfonic acid Traditional Name: 3-keto-3-methoxy-2-stearamido-propane-1-sulfonic acid Formula: C22H43NO6S MolecularWeight: 449.64492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H43NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23-20(22(25)29-2)19-30(26,27)28/h20H,3-19H2,1-2H3,(H,23,24)(H,26,27,28)