tetrasodium 2-[2-[[3-[(3-carboxylato-5-oxidanidyl-3-oxidanyl-5-oxidanylidene-pentanoyl)-dodecyl-amino]-2-oxidanyl-propyl]-dodecyl-amino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate

Systemtic Name: tetrasodium 2-[2-[[3-[(3-carboxylato-5-oxidanidyl-3-oxidanyl-5-oxidanylidene-pentanoyl)-dodecyl-amino]-2-oxidanyl-propyl]-dodecyl-amino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate Openeye Name: tetrasodium 2-[2-[[3-[(3-carboxylato-3-hydroxy-5-oxido-5-oxo-pentanoyl)-dodecyl-amino]-2-hydroxy-propyl]-dodecyl-amino]-2-oxo-ethyl]-2-hydroxy-butanedioate CAS Name: tetrasodium 2-[2-[[3-[(3-carboxylato-3-hydroxy-5-oxido-1,5-dioxopentyl)-dodecylamino]-2-hydroxypropyl]-dodecylamino]-2-oxoethyl]-2-hydroxybutanedioate IUPAC Name: tetrasodium 2-[2-[[3-[(3-carboxylato-3-hydroxy-5-oxido-5-oxopentanoyl)-dodecylamino]-2-hydroxypropyl]-dodecylamino]-2-oxoethyl]-2-hydroxybutanedioate Traditional Name: tetrasodium 2-[2-[[3-[(3-carboxylato-3-hydroxy-5-keto-5-oxido-pentanoyl)-lauryl-amino]-2-hydroxy-propyl]-lauryl-amino]-2-keto-ethyl]-2-hydroxy-succinate Formula: C39H66N2Na4O13 MolecularWeight: 862.90602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CC(CN(CCCCCCCCCCCC)C(=O)CC(CC(=O)[O-])(C(=O)[O-])O)O)C(=O)CC(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCN(CC(CN(CCCCCCCCCCCC)C(=O)CC(CC(=O)[O-])(C(=O)[O-])O)O)C(=O)CC(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C39H70N2O13.4Na/c1-3-5-7-9-11-13-15-17-19-21-23-40(32(43)25-38(53,36(49)50)27-34(45)46)29-31(42)30-41(24-22-20-18-16-14-12-10-8-6-4-2)33(44)26-39(54,37(51)52)28-35(47)48;;;;/h31,42,53-54H,3-30H2,1-2H3,(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4