tetrasodium (2S)-2-[octadecyl-(4-oxidanidyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]butanedioate

Systemtic Name: tetrasodium (2S)-2-[octadecyl-(4-oxidanidyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]butanedioate Openeye Name: tetrasodium (2S)-2-[octadecyl-(4-oxido-4-oxo-3-sulfonato-butanoyl)amino]butanedioate CAS Name: tetrasodium (2S)-2-[octadecyl-(4-oxido-1,4-dioxo-3-sulfonatobutyl)amino]butanedioate IUPAC Name: tetrasodium (2S)-2-[octadecyl-(4-oxido-4-oxo-3-sulfonatobutanoyl)amino]butanedioate Traditional Name: tetrasodium (2S)-2-[(4-keto-4-oxido-3-sulfonato-butanoyl)-stearyl-amino]succinate Formula: C26H43NNa4O10S MolecularWeight: 653.6444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C(CC(=O)[O-])C(=O)[O-])C(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN([C@@H](CC(=O)[O-])C(=O)[O-])C(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H47NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37;;;;/h21-22H,2-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4/t21-,22?;;;;/m0..../s1