4-[2-[dodecanoyl(2-hydroxyethyl)amino]ethoxy]-4-oxidanylidene-3-sulfo-butanoic acid

Systemtic Name: 4-[2-[dodecanoyl(2-hydroxyethyl)amino]ethoxy]-4-oxidanylidene-3-sulfo-butanoic acid Openeye Name: 4-[2-[dodecanoyl(2-hydroxyethyl)amino]ethoxy]-4-oxo-3-sulfo-butanoic acid CAS Name: 4-[2-[2-hydroxyethyl(1-oxododecyl)amino]ethoxy]-4-oxo-3-sulfobutanoic acid IUPAC Name: 4-[2-[dodecanoyl(2-hydroxyethyl)amino]ethoxy]-4-oxo-3-sulfobutanoic acid Traditional Name: 4-[2-[2-hydroxyethyl(lauroyl)amino]ethoxy]-4-keto-3-sulfo-butyric acid Formula: C20H37NO9S MolecularWeight: 467.57408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)N(CCO)CCOC(=O)C(CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H37NO9S/c1-2-3-4-5-6-7-8-9-10-11-18(23)21(12-14-22)13-15-30-20(26)17(16-19(24)25)31(27,28)29/h17,22H,2-16H2,1H3,(H,24,25)(H,27,28,29)