tetrasodium 2-[[(E)-octadec-1-enyl]-(4-oxidanidyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]butanedioate

Systemtic Name: tetrasodium 2-[[(E)-octadec-1-enyl]-(4-oxidanidyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]butanedioate Openeye Name: tetrasodium 2-[[(E)-octadec-1-enyl]-(4-oxido-4-oxo-3-sulfonato-butanoyl)amino]butanedioate CAS Name: tetrasodium 2-[[(E)-octadec-1-enyl]-(4-oxido-1,4-dioxo-3-sulfonatobutyl)amino]butanedioate IUPAC Name: tetrasodium 2-[[(E)-octadec-1-enyl]-(4-oxido-4-oxo-3-sulfonatobutanoyl)amino]butanedioate Traditional Name: tetrasodium 2-[(4-keto-4-oxido-3-sulfonato-butanoyl)-[(E)-octadec-1-enyl]amino]succinate Formula: C26H41NNa4O10S MolecularWeight: 651.62852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/N(C(CC(=O)[O-])C(=O)[O-])C(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H45NO10S.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;;;;/h17-18,21-22H,2-16,19-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4/b18-17+;;;;