Hydrogen [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)

HCID 175175

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Basic information

CAS: 72812-34-1
Standard SMILES: CCCCC(CC)COCCCN.O=C1C=C(N([O-])[O-])C=CC1=NN=C1C(=O)C=Cc2ccccc21.O=[N+]([O-])c1ccc([O-])c(N=Nc2c([O-])ccc3ccccc23)c1.[Cr+3].[H+]
InChIKey: FLCUQDVTMVAOQZ-UHFFFAOYSA-M
Molecular formula: C43H44CrN7O9
Average molar mass: 854.8 g/mol
Monoisotopic mass: 854.260556

Names & identifiers

Preferred name: Hydrogen [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)
IUPAC: chromium(3+);1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;3-(2-ethylhexoxy)propan-1-amine;hydron;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate

Names & synonyms

Hydrogen (1-((2-hydroxy-4-nitrophenyl)azo)-2-naphtholato(2-))(1-((2-hydroxy-5-nitrophenyl)azo)-2-naphtholato(2-))chromate(1-), compound with 3-((2-ethylhexyl)oxy)propylamine (1:1)Hydrogen [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1)RefChem:789034276-857-1EINECS 276-857-1Hydrogen (1-((2-hydroxy-4-nitrophenyl)azo)-2-naphtholato(2-))(1-((2-hydroxy-5-nitrophenyl)azo)-2-naphtholato(2-))chromate(1-) , compound with 3-((2-ethylhexyl)oxy)propylamine (1:1)

Database identifiers

CAS: 72812-34-1
PubChem CID: 175175

Properties

Computed structural properties

Topological polar surface area: 260 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 15
Rotatable bonds: 12
Heavy atoms: 60
Formal charge: 0
Complexity: 1,230

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