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

Systemtic Name: 2-[3-(7-methoxy-9-oxidanylidene-decyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid Openeye Name: 2-[3-(7-methoxy-9-oxo-decyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[[3-[(7-methoxy-9-oxodecyl)thio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[3-(7-methoxy-9-oxodecyl)sulfanylpropanoylamino]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[3-[(9-keto-7-methoxy-decyl)thio]propanoylamino]-2-methyl-propane-1-sulfonic acid Formula: C18H35NO6S2 MolecularWeight: 425.6036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35NO6S2/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)