Einecs 300-940-4
Basic information
- CAS
93964-92-2- Standard SMILES
C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.C1CCC(NC2CCCCC2)CC1.Cc1nn(-c2ccc(S(=O)(=O)[O-])cc2)c([O-])c1N=Nc1cc([N+](=O)[O-])ccc1[O-].Cc1nn(-c2ccc(S(=O)(=O)[O-])cc2)c([O-])c1N=Nc1cc([N+](=O)[O-])ccc1[O-].[Cr+3].[H+].[H+].[H+]- InChIKey
KZOCEZHUNAZEAI-UHFFFAOYSA-K- Molecular formula
- C68H92CrN13O14S2
- Average molar mass
- 1,431.7 g/mol
- Monoisotopic mass
- 1,430.573317
Names & identifiers
- Preferred name
- Einecs 300-940-4
- IUPAC
- chromium(3+);tris(N-cyclohexylcyclohexanamine);hydron;bis(4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate)
Names & synonyms
EINECS 300-940-493964-92-2Trihydrogen bis(4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1-sulphonato(3-))chromate(3-), compound with dicyclohexylamine (1:3)
Database identifiers
- CAS
93964-92-2- PubChem CID
- 56841506
- EC Number
- 300-940-4
Properties
Computed structural properties
- Topological polar surface area
- 436 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 12
- Heavy atoms
- 98
- Formal charge
- 0
- Complexity
- 819
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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