2-[3-(5-methoxy-7-oxidanylidene-octyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid

Systemtic Name: 2-[3-(5-methoxy-7-oxidanylidene-octyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid Openeye Name: 2-[3-(5-methoxy-7-oxo-octyl)sulfanylpropanoylamino]-2-methyl-propane-1-sulfonic acid CAS Name: 2-[[3-[(5-methoxy-7-oxooctyl)thio]-1-oxopropyl]amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 2-[3-(5-methoxy-7-oxooctyl)sulfanylpropanoylamino]-2-methylpropane-1-sulfonic acid Traditional Name: 2-[3-[(7-keto-5-methoxy-octyl)thio]propanoylamino]-2-methyl-propane-1-sulfonic acid Formula: C16H31NO6S2 MolecularWeight: 397.55044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H31NO6S2/c1-13(18)11-14(23-4)7-5-6-9-24-10-8-15(19)17-16(2,3)12-25(20,21)22/h14H,5-12H2,1-4H3,(H,17,19)(H,20,21,22)