2-[3-(9-methoxy-11-oxidanylidene-dodecyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-[3-(9-methoxy-11-oxidanylidene-dodecyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid Openeye Name: 2-[3-(9-methoxy-11-oxo-dodecyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[[3-[(9-methoxy-11-oxododecyl)thio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[3-(9-methoxy-11-oxododecyl)sulfanylpropanoylamino]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[3-[(11-keto-9-methoxy-dodecyl)thio]propanoylamino]-2-methyl-propane-1-sulfonic acid Formula: C20H39NO6S2 MolecularWeight: 453.65676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(CCCCCCCCSCCC(=O)NC(C)(C)CS(=O)(=O)O)OC

Isomeric SMILES

CC(=O)CC(CCCCCCCCSCCC(=O)NC(C)(C)CS(=O)(=O)O)OC

InChI

InChI=1S/C20H39NO6S2/c1-17(22)15-18(27-4)11-9-7-5-6-8-10-13-28-14-12-19(23)21-20(2,3)16-29(24,25)26/h18H,5-16H2,1-4H3,(H,21,23)(H,24,25,26)