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

Systemtic Name: 2-[3-(6-methoxy-8-oxidanylidene-nonyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid Openeye Name: 2-[3-(6-methoxy-8-oxo-nonyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[[3-[(6-methoxy-8-oxononyl)thio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[3-(6-methoxy-8-oxononyl)sulfanylpropanoylamino]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[3-[(8-keto-6-methoxy-nonyl)thio]propanoylamino]-2-methyl-propane-1-sulfonic acid Formula: C17H33NO6S2 MolecularWeight: 411.57702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33NO6S2/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)