sodium 2-[3-(6-methoxy-8-oxidanylidene-nonyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate

Systemtic Name: sodium 2-[3-(6-methoxy-8-oxidanylidene-nonyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate Openeye Name: sodium 2-[3-(6-methoxy-8-oxo-nonyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate CAS Name: sodium 2-[[3-[(6-methoxy-8-oxononyl)thio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonate IUPAC Name: sodium 2-[3-(6-methoxy-8-oxononyl)sulfanylpropanoylamino]-2-methylpropane-1-sulfonate Traditional Name: sodium 2-[3-[(8-keto-6-methoxy-nonyl)thio]propanoylamino]-2-methyl-propane-1-sulfonate Formula: C17H32NNaO6S2 MolecularWeight: 433.55885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCCCCSCCC(=O)NC(C)(C)CS(=O)(=O)[O-])OC.[Na+]

Isomeric SMILES

CC(=O)CC(CCCCCSCCC(=O)NC(C)(C)CS(=O)(=O)[O-])OC.[Na+]

InChI

InChI=1S/C17H33NO6S2.Na/c1-14(19)12-15(24-4)8-6-5-7-10-25-11-9-16(20)18-17(2,3)13-26(21,22)23;/h15H,5-13H2,1-4H3,(H,18,20)(H,21,22,23);/q;+1/p-1