disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-oxo-4-[2-(1-oxododecylamino)ethoxy]-3-sulfonatobutanoate IUPAC Name: disodium 4-[2-(dodecanoylamino)ethoxy]-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-keto-4-[2-(lauroylamino)ethoxy]-3-sulfonato-butyrate Formula: C18H31NNa2O8S MolecularWeight: 467.48518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-18(23)15(14-17(21)22)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,24,25,26);;/q;2*+1/p-2