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Reference substance information

IUPAC name:
Reaction mass of disodium N,N'-[(2-hydroxy-5-nonylphen-1,3-ylene)bis(methylene)]bis[N-methylaminoacetate] and sodium N-[(2-hydroxy-5-nonylphenyl)methyl]-N-methylaminoacetate
Synonyms
Names:
Identifier:
IUPAC name
Reaction mass of disodium 2,2'-{(2-hydroxy-5-nonyl-1,3-phenylene)bis[methylene(methylimino)]}diacetate and sodium [(2-hydroxy-5-nonylbenzyl)(methyl)amino]acetate
Identifier:
IUPAC name
Reaction mass of disodium 2-[[2-hydroxy-3-[[methyl-(2-oxido-2-oxoethyl)amino]methyl]-5-nonylphenyl]methyl-methylamino and sodium 2-[(2-hydroxy-5-nonylphenyl)methyl-methylamino]acetate
Identifier:
other: Molecular formula
C19 H31 N O3 . Na C23 H38 N2 O5 . 2 Na
Identifier:
other: Molecular formula
C23H36N2Na2O5.C19H30NNaO3
Identifier:
other: InChl
InChI=1S/C23H38N2O5.2Na/c1-4-5-6-7-8-9-10-11-18-12-19(14-24(2)16-21(26)27)23(30)20(13-18)15-25(3)17-22(28)29;;/h12-13,30H,4-11,14-17H2,1-3H3,(H,26,27)(H,28,29);;/q;2*+1/p-2 InChI=1/C19H31NO3.Na/c1-3-4-5-6-7-8-9-10-16-11-12-18(21)17(13-16)14-20(2)15-19(22)23;/h11-13,21H,3-10,14-15H2,1-2H3,(H,22,23);/q;+1/p-1
Identifier:
other: SMILES notation
O=C(O[Na])CN(C)CC1=CC(CCCCCCCCC)=CC(CN(C)CC(O[Na])=O)=C1O CCCCCCCCCc1ccc(O)c(CN(C)CC(=O)O[Na])c1

Related substances

Identifiers of related substancesopen allclose all
open allclose all
Identifier:
EC number
Identity:
260-483-0
Identifier:
CAS number
Identity:
56968-08-2
open allclose all
Identifier:
CAS number
Identity:
62568-43-8
Identifier:
EC number
Identity:
263-601-9
Identifier:
CAS number
Identity:
56968-08-2
Identifier:
EC number
Identity:
260-483-0
open allclose all
Identifier:
CAS number
Identity:
62568-43-8
Identifier:
CAS number
Identity:
56968-08-2

Molecular and structural information

Molecular formula:
C23H36N2Na2O5
C19H30NNaO3
Molecular weight:
>= 343.44 - <= 466.53
SMILES notation:
CCCCCCCCCC1=CC(CN(CC([O-])=O)C)=C(O)C(CN(CC([O-])=O)C)=C1.[Na+].[Na+]
O=C([O-])CN(CC1=CC(CCCCCCCCC)=CC=C1O)C.[Na+]
InChl:
InChI=1S/C23H38N2O5.2Na/c1-4-5-6-7-8-9-10-11-18-12-19(14-24(2)16-21(26)27)23(30)20(13-18)15-25(3)17-22(28)29;;/h12-13,30H,4-11,14-17H2,1-3H3,(H,26,27)(H,28,29);;/q;2*+1/p-2
InChI=1S/C19H31NO3.Na/c1-3-4-5-6-7-8-9-10-16-11-12-18(21)17(13-16)14-20(2)15-19(22)23;/h11-13,21H,3-10,14-15H2,1-2H3,(H,22,23);/q;+1/p-1
Structural formula:
Chemical structure