Cuprate(2-), (5-((4-(5-((2,6-dihydroxy-3-((2-hydroxy-5-sulfophenyl)azo)phenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-2-hydroxybenzoato(4-))-, disodium

HCID 136192529

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Basic information

CAS: 121029-09-2
Standard SMILES: O=C(O)c1cc(N=Nc2ccc(-c3nc4ccc(N=Nc5c(O)ccc(N=Nc6cc(S(=O)(=O)O)ccc6O)c5O)cc4[nH]3)cc2)ccc1O.[Cu].[Na+].[Na+]
InChIKey: GWMHYEGHCFNLBJ-SQPZMGHCSA-N
Molecular formula: C32H22CuN8Na2O9S+2
Average molar mass: 804.2 g/mol
Monoisotopic mass: 803.032181

Names & identifiers

Preferred name: Cuprate(2-), (5-((4-(5-((2,6-dihydroxy-3-((2-hydroxy-5-sulfophenyl)azo)phenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-2-hydroxybenzoato(4-))-, disodium
IUPAC: disodium;copper;5-[[4-[6-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]phenyl]diazenyl]-1H-benzimidazol-2-yl]phenyl]diazenyl]-2-hydroxybenzoic acid
English name: Cuprate(2-), [5-[[4-[5-[[2,6-dihydroxy- 3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-1H-benzimidazol -2-yl]phenyl]azo]-2-hydroxybenzoato(4- )]-, disodium
Molecular formula: C32H22CuN8Na2O9S+2
Molecular weight: 804.15582

Names & synonyms

121029-09-2Cuprate(2-), (5-((4-(5-((2,6-dihydroxy-3-((2-hydroxy-5-sulfophenyl)azo)phenyl)azo)-1H-benzimidazol-2-yl)phenyl)azo)-2-hydroxybenzoato(4-))-, disodiumCuprate(2-), [5-[[4-[5-[[2,6-dihydroxy- 3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]-1H-benzimidazol -2-yl]phenyl]azo]-2-hydroxybenzoato(4- )]-, disodium

Database identifiers

CAS: 121029-09-2
PubChem CID: 136192529

Properties

Computed structural properties

Topological polar surface area: 284 Å²
Hydrogen bond donors: 7
Hydrogen bond acceptors: 16
Rotatable bonds: 0
Heavy atoms: 53
Formal charge: 2
Complexity: 1,370

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