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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H49NO9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-25(30)22-23(26(31)32)37(33,34)35/h23,28H,2-22H2,1H3,(H,31,32)(H,33,34,35)