tetrasodium 2-[(4-azanyl-4-oxidanylidene-2-sulfo-butanoyl)-octadecyl-amino]butanedioic acid

Systemtic Name: tetrasodium 2-[(4-azanyl-4-oxidanylidene-2-sulfo-butanoyl)-octadecyl-amino]butanedioic acid Openeye Name: tetrasodium 2-[(4-amino-4-oxo-2-sulfo-butanoyl)-octadecyl-amino]butanedioic acid CAS Name: tetrasodium 2-[(4-amino-1,4-dioxo-2-sulfobutyl)-octadecylamino]butanedioic acid IUPAC Name: tetrasodium 2-[(4-amino-4-oxo-2-sulfobutanoyl)-octadecylamino]butanedioic acid Traditional Name: tetrasodium 2-[(4-amino-4-keto-2-sulfo-butanoyl)-stearyl-amino]succinic acid Formula: C26H48N2Na4O9S+4 MolecularWeight: 656.6914

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.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

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/C26H48N2O9S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28(21(26(33)34)19-24(30)31)25(32)22(20-23(27)29)38(35,36)37;;;;/h21-22H,2-20H2,1H3,(H2,27,29)(H,30,31)(H,33,34)(H,35,36,37);;;;/q;4*+1