azanium sodium 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: azanium sodium 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: ammonium sodium 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-oxo-2-sulfonato-butanoate CAS Name: ammonium sodium 4-[2-[2-hydroxyethyl-(16-methyl-1-oxoheptadecyl)amino]ethoxy]-4-oxo-2-sulfonatobutanoate IUPAC Name: azanium sodium 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-oxo-2-sulfonatobutanoate Traditional Name: ammonium sodium 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-keto-2-sulfonato-butyrate Formula: C26H51N2NaO9S MolecularWeight: 590.74591

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[NH4+].[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCC(=O)N(CCO)CCOC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[NH4+].[Na+]

InChI

InChI=1S/C26H49NO9S.H3N.Na/c1-22(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24(29)27(17-19-28)18-20-36-25(30)21-23(26(31)32)37(33,34)35;;/h22-23,28H,3-21H2,1-2H3,(H,31,32)(H,33,34,35);1H3;/q;;+1/p-1