4-[2-(dodecanoylamino)ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[2-(dodecanoylamino)ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[2-(dodecanoylamino)ethoxy]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-oxo-4-[2-(1-oxododecylamino)ethoxy]-2-sulfobutanoic acid IUPAC Name: 4-[2-(dodecanoylamino)ethoxy]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-keto-4-[2-(lauroylamino)ethoxy]-2-sulfo-butyric acid Formula: C18H33NO8S MolecularWeight: 423.52152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

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