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Reference substances

Reference substances

Currently viewing:
IUPAC name:
trisodium citrate

Inventory

EC number:
200-675-3
EC name:
Trisodium citrate
CAS number:
68-04-2
CAS number:
68-04-2
Synonyms
Names:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trisodium salt
1,2,3-Propanetricarboxylic_acid,_2-hydroxy-,_trisodium_salt
Citric acid, sodium salt
Identifier:
IUPAC name
Trisodium 2-hydroxypropane-1,2,3-tricarboxylate Trisodium citrate
Identifier:
IUPAC name
Trisodium Citrate
Identifier:
IUPAC name
Trisodium citrate
Identifier:
IUPAC name
trisodium 2-hydroxypropane-1,2,3-tricarboxylate
Identifier:
other: InChl
1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
Identifier:
other: SMILES notation
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]
Identifier:
other: SMILES notation
C(CC(=O)[O-])(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]
Identifier:
other: Molecular formula
C6 H5O7Na3. 2H2O
Identifier:
other: Molecular formula
C6H5Na3O7
Identifier:
other: InChl
InChI=1/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3 AuxInfo=1/1/N:2,3,6,7,4,1,10,11,12,13,8,9,5;14;15;16/E:(1,2)(3,4)(7,8,9,10)(11,12);;;/gE:(1,2);;;/rA:16nCCCCOCCOO-OO-OO-Na+Na+Na+/rB:s1;s1;s1;s1;s2;s3;d4;s4;d6;s6;d7;s7;;;;/rC:.0448,-.3586,0;-.6793,-.7793,0;.7586,-.769,0;.0448,.469,0;.2586,-1.1586,0;-1.3931,-.3655,0;1.4793,-.3586,0;.7586,.8793,0;-.6793,.8793,0;-1.3931,.469,0;-2.1069,-.7828,0;1.4793,.4724,0;2.1931,-.769,0;4.5069,-.3448,0;-4.6931,-.2586,0;-.5724,2.7724,0;
Identifier:
other: InChl
InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+]. O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O
Identifier:
other: SMILES notation
[Na+].[Na+].[Na+].O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
trisodium citrate

Molecular and structural information

Molecular formula:
C6H8O7.3Na
Molecular weight:
258.069
SMILES notation:
[Na+].[Na+].[Na+].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
InChl:
InChI=1/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
Structural formula:
Chemical structure

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