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Reference substance information

IUPAC name:
tetrasodium 4-{2-[(Z)-(1-oxidododecylidene)amino]ethoxy}-4-oxo-2-sulfobutanoate 4-{2-[(Z)-(1-oxidododecylidene)amino]ethoxy}-4-oxo-3-sulfobutanoate
Synonyms
Names:
Butanedioic acid, 2(or 3)-sulfo-, 4-[2-[(1-oxododecyl)amino]ethyl] ester, sodium salt

Related substances

Identifiers of related substances
Identifier:
CAS number
Identity:
25882-44-4

Molecular and structural information

Molecular formula:
C18H31NNa2O8S
Molecular weight:
467
SMILES notation:
O=C([O-])C(S(=O)([O-])=O)CC(OCCNC(CCCCCCCCCCC)=O)=O.[Na+].[Na+] and
O=C([O-])CC(S(=O)([O-])=O)C(OCCNC(CCCCCCCCCCC)=O)=O.[Na+].[Na+]
InChl:
InChI=1S/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-17(21)14-15(18(22)23)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,22,23)(H,24,25,26);;/q;2*+1/p-2 and
InChI=1S/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-18(23)15(14-17(21)22)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,24,25,26);;/q;2*+1/p-2
Structural formula:
Chemical structure