4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid

Systemtic Name: 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-oxidanylidene-2-sulfo-butanoic acid Openeye Name: 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-[2-[2-hydroxyethyl-(16-methyl-1-oxoheptadecyl)amino]ethoxy]-4-oxo-2-sulfobutanoic acid IUPAC Name: 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-oxo-2-sulfobutanoic acid Traditional Name: 4-[2-[2-hydroxyethyl(16-methylheptadecanoyl)amino]ethoxy]-4-keto-2-sulfo-butyric acid Formula: C26H49NO9S MolecularWeight: 551.73356

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H49NO9S/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)