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Reference substances

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Reference substance information

IUPAC name:
sodium (E)-2-(3-carboxylato-N-(octadec-1-en-1-yl)-3-sulfonatopropanamido)succinate
Synonyms
Names:
Identifier:
other: InChl
1S/C26H45NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37;;;;/h17-18,21-22H,2-16,19-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4/b18-17+;;;;

CAS information

CAS number:
81869-18-3

Molecular and structural information

Molecular formula:
C26H41NNa4O10S
Molecular weight:
651
SMILES notation:
O=C([O-])CC(C([O-])=O)N(C(CC(C([O-])=O)S(=O)([O-])=O)=O)/C=C/CCCCCCCCCCCCCCCC.[Na+].[Na+].[Na+].[Na+]
InChl:
InChI=1S/C26H45NO10S.4Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(21(25(31)32)19-24(29)30)23(28)20-22(26(33)34)38(35,36)37;;;;/h17-18,21-22H,2-16,19-20H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36,37);;;;/q;4*+1/p-4/b18-17+;;;;
Structural formula:
Chemical structure