disodium 2-[octadecyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioate

Systemtic Name: disodium 2-[octadecyl-(4-oxidanyl-4-oxidanylidene-3-sulfo-butanoyl)amino]butanedioate Openeye Name: disodium 2-[(4-hydroxy-4-oxo-3-sulfo-butanoyl)-octadecyl-amino]butanedioate CAS Name: disodium 2-[(4-hydroxy-1,4-dioxo-3-sulfobutyl)-octadecylamino]butanedioate IUPAC Name: disodium 2-[(4-hydroxy-4-oxo-3-sulfobutanoyl)-octadecylamino]butanedioate Traditional Name: disodium 2-[(4-hydroxy-4-keto-3-sulfo-butanoyl)-stearyl-amino]succinate Formula: C26H45NNa2O10S MolecularWeight: 609.68074

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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+]

Isomeric SMILES

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

InChI

InChI=1S/C26H47NO10S.2Na/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;2*+1/p-2