sodium 2-[3-(7-methoxy-9-oxidanylidene-decyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate

Systemtic Name: sodium 2-[3-(7-methoxy-9-oxidanylidene-decyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate Openeye Name: sodium 2-[3-(7-methoxy-9-oxo-decyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonate CAS Name: sodium 2-[[3-[(7-methoxy-9-oxodecyl)thio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonate IUPAC Name: sodium 2-[3-(7-methoxy-9-oxodecyl)sulfanylpropanoylamino]-2-methylpropane-1-sulfonate Traditional Name: sodium 2-[3-[(9-keto-7-methoxy-decyl)thio]propanoylamino]-2-methyl-propane-1-sulfonate Formula: C18H34NNaO6S2 MolecularWeight: 447.58543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35NO6S2.Na/c1-15(20)13-16(25-4)9-7-5-6-8-11-26-12-10-17(21)19-18(2,3)14-27(22,23)24;/h16H,5-14H2,1-4H3,(H,19,21)(H,22,23,24);/q;+1/p-1