disodium 4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-[2-[2-hydroxyethyl(1-oxooctadecyl)amino]ethoxy]-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-[2-[2-hydroxyethyl(octadecanoyl)amino]ethoxy]-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-[2-[2-hydroxyethyl(stearoyl)amino]ethoxy]-4-keto-3-sulfonato-butyrate Formula: C26H47NNa2O9S MolecularWeight: 595.69722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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