Molecular Structure of Disodium 5,5'-azodisalicylate (CAS NO.6054-98-4):
IUPAC Name: disodium 5-[(2Z)-2-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2-hydroxybenzoate
Empirical Formula: C14H8N2Na2O6
Molecular Weight: 346.2027
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 6
Polar Surface Area: 145.44Å2
Classification Code: Anti-inflammatory [gastrointestinal]
InChI
InChI=1/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2/b16-15+;;
Smiles
c1(cc(c(O)cc1)C(=O)[O-])\N=N\c1cc(c(O)cc1)C(=O)[O-].[Na+].[Na+]
Disodium 5,5'-azodisalicylate , with CAS number of 6054-98-4, can be called Disodium 3,3'-[(E)-1,2-diazenediyl]bis(6-hydroxybenzoate) ; Disodium 3,3'-(E)-diazene-1,2-diylbis(6-hydroxybenzoate) ; Dinatrium-3,3'-(E)-diazen-1,2-diylbis(6-hydroxybenzolcarboxylat) ; benzoic acid, 3,3'-[(E)-1,2-diazenediyl]bis[6-hydroxy-, sodium salt (1:2) ; 3,3'-(E)-diazène-1,2-diylbis(6-hydroxybenzoate) de disodium .
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