disodium 4-[1-(dodecanoylamino)propan-2-yloxy]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: disodium 4-[1-(dodecanoylamino)propan-2-yloxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: disodium 4-[2-(dodecanoylamino)-1-methyl-ethoxy]-4-oxo-2-sulfonato-butanoate CAS Name: disodium 4-oxo-4-[1-(1-oxododecylamino)propan-2-yloxy]-2-sulfonatobutanoate IUPAC Name: disodium 4-[1-(dodecanoylamino)propan-2-yloxy]-4-oxo-2-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[2-(lauroylamino)-1-methyl-ethoxy]-2-sulfonato-butyrate Formula: C19H33NNa2O8S MolecularWeight: 481.51176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCC(C)OC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCC(C)OC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H35NO8S.2Na/c1-3-4-5-6-7-8-9-10-11-12-17(21)20-14-15(2)28-18(22)13-16(19(23)24)29(25,26)27;;/h15-16H,3-14H2,1-2H3,(H,20,21)(H,23,24)(H,25,26,27);;/q;2*+1/p-2