tetrasodium 4-[dodecyl-[3-[dodecyl-(4-oxidanidyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]-2-oxidanyl-propyl]amino]-4-oxidanylidene-2-sulfonato-butanoate

Systemtic Name: tetrasodium 4-[dodecyl-[3-[dodecyl-(4-oxidanidyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]-2-oxidanyl-propyl]amino]-4-oxidanylidene-2-sulfonato-butanoate Openeye Name: tetrasodium 4-[dodecyl-[3-[dodecyl-(4-oxido-4-oxo-3-sulfonato-butanoyl)amino]-2-hydroxy-propyl]amino]-4-oxo-2-sulfonato-butanoate CAS Name: tetrasodium 4-[dodecyl-[3-[dodecyl-(4-oxido-1,4-dioxo-3-sulfonatobutyl)amino]-2-hydroxypropyl]amino]-4-oxo-2-sulfonatobutanoate IUPAC Name: tetrasodium 4-[dodecyl-[3-[dodecyl-(4-oxido-4-oxo-3-sulfonatobutanoyl)amino]-2-hydroxypropyl]amino]-4-oxo-2-sulfonatobutanoate Traditional Name: tetrasodium 4-[[2-hydroxy-3-[(4-keto-4-oxido-3-sulfonato-butanoyl)-lauryl-amino]propyl]-lauryl-amino]-4-keto-2-sulfonato-butyrate Formula: C35H62N2Na4O13S2 MolecularWeight: 874.96146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H66N2O13S2.4Na/c1-3-5-7-9-11-13-15-17-19-21-23-36(32(39)25-30(34(41)42)51(45,46)47)27-29(38)28-37(33(40)26-31(35(43)44)52(48,49)50)24-22-20-18-16-14-12-10-8-6-4-2;;;;/h29-31,38H,3-28H2,1-2H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4