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Trihydrogen (7-((4-chloro-6-(2-sulphoanilino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((2-hydroxy-5-sulphophenyl)azo)naphthalene-2-sulphonato(5-))cuprate(3-)

HCID 136192531
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Basic information

CAS
94276-76-3
Standard SMILES
CN(c1ccc2c(O)c(N=Nc3cc(S(=O)(=O)O)ccc3O)c(S(=O)(=O)O)cc2c1)c1nc(Cl)nc(Nc2ccccc2S(=O)(=O)O)n1.[Cu].[H+].[H+].[H+]
InChIKey
RIPNIBKBKRMAFF-UHFFFAOYSA-Q
Molecular formula
C26H23ClCuN7O11S3+3
Average molar mass
804.7 g/mol
Monoisotopic mass
802.960218

Names & identifiers

Preferred name
Trihydrogen (7-((4-chloro-6-(2-sulphoanilino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((2-hydroxy-5-sulphophenyl)azo)naphthalene-2-sulphonato(5-))cuprate(3-)
IUPAC
7-[[4-chloro-6-(2-sulfoanilino)-1,3,5-triazin-2-yl]-methylamino]-4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid;copper;hydron

Names & synonyms

EINECS 304-562-094276-76-3Trihydrogen (7-((4-chloro-6-(2-sulphoanilino)-1,3,5-triazin-2-yl)methylamino)-4-hydroxy-3-((2-hydroxy-5-sulphophenyl)azo)naphthalene-2-sulphonato(5-))cuprate(3-)

Database identifiers

CAS
94276-76-3
PubChem CID
136192531
EC Number
304-562-0

Properties

Computed structural properties

Topological polar surface area
307 Ų
Hydrogen bond donors
9
Hydrogen bond acceptors
18
Rotatable bonds
0
Heavy atoms
49
Formal charge
3
Complexity
1,480

Related reactions

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Compound notes

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