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Chromium(3+) sodium 1-[(E)-(3,5-dinitro-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate (1/1/2)

HCID 14745083
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Basic information

CAS
109125-50-0
Standard SMILES
O=C(Nc1ccccc1)c1cc2ccccc2c(N=Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1[O-].O=C(Nc1ccccc1)c1cc2ccccc2c(N=Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])c1[O-].[Cr+3].[Na+]
InChIKey
YGDUQOGYQXZCLO-UHFFFAOYSA-J
Molecular formula
C46H26CrN10NaO14
Average molar mass
1,017.7 g/mol
Monoisotopic mass
1,017.09327

Names & identifiers

Preferred name
Chromium(3+) sodium 1-[(E)-(3,5-dinitro-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate (1/1/2)
IUPAC
sodium;chromium(3+);bis(1-[(3,5-dinitro-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate)

Names & synonyms

DTXSID601015575Chromium(3+) sodium 1-[(E)-(3,5-dinitro-2-oxidophenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate (1/1/2)

Database identifiers

CAS
109125-50-0
PubChem CID
14745083
DTXSID
DTXSID601015575

Properties

Computed structural properties

Topological polar surface area
383 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
18
Rotatable bonds
8
Heavy atoms
72
Formal charge
0
Complexity
809

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