tetrasodium 2-[18-[(4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]octadecyl]butanedioate

Systemtic Name: tetrasodium 2-[18-[(4-oxidanyl-4-oxidanylidene-3-sulfonato-butanoyl)amino]octadecyl]butanedioate Openeye Name: tetrasodium 2-[18-[(4-hydroxy-4-oxo-3-sulfonato-butanoyl)amino]octadecyl]butanedioate CAS Name: tetrasodium 2-[18-[(4-hydroxy-1,4-dioxo-3-sulfonatobutyl)amino]octadecyl]butanedioate IUPAC Name: tetrasodium 2-[18-[(4-hydroxy-4-oxo-3-sulfonatobutanoyl)amino]octadecyl]butanedioate Traditional Name: tetrasodium 2-[18-[(4-hydroxy-4-keto-3-sulfonato-butanoyl)amino]octadecyl]succinate Formula: C104H176N4Na4O40S4-8 MolecularWeight: 2342.73212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C26H47NO10S.4Na/c4*28-23(20-22(26(33)34)38(35,36)37)27-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-21(25(31)32)19-24(29)30;;;;/h4*21-22H,1-20H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;;;;4*+1/p-12