tetrasodium 2-[(4-azanyl-4-oxidanylidene-2-sulfonato-butanoyl)-octadecyl-amino]butanedioate

Systemtic Name: tetrasodium 2-[(4-azanyl-4-oxidanylidene-2-sulfonato-butanoyl)-octadecyl-amino]butanedioate Openeye Name: tetrasodium 2-[(4-amino-4-oxo-2-sulfonato-butanoyl)-octadecyl-amino]butanedioate CAS Name: tetrasodium 2-[(4-amino-1,4-dioxo-2-sulfonatobutyl)-octadecylamino]butanedioate IUPAC Name: tetrasodium 2-[(4-amino-4-oxo-2-sulfonatobutanoyl)-octadecylamino]butanedioate Traditional Name: tetrasodium 2-[(4-amino-4-keto-2-sulfonato-butanoyl)-stearyl-amino]succinate Formula: C104H180N8Na4O36S4-8 MolecularWeight: 2338.79308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C26H48N2O9S.4Na/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(21(26(33)34)19-24(30)31)25(32)22(20-23(27)29)38(35,36)37;;;;/h4*21-22H,2-20H2,1H3,(H2,27,29)(H,30,31)(H,33,34)(H,35,36,37);;;;/q;;;;4*+1/p-12