Basic information
- CAS
94292-06-5- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1=NN=C1C=C(N([O-])[O-])C=CC1=O.CCCCCCCCCCCCNCCO.CCCCCCCCCCCCNCCO.CCCCCCCCCCCCNCCO.Cc1nn(-c2ccc(S(=O)(=O)[O-])cc2)c([O-])c1N=Nc1cc([N+](=O)[O-])ccc1[O-].[Cr+3].[H+].[H+].[H+]- InChIKey
KEVDYBGJTFHPOF-UHFFFAOYSA-M- Molecular formula
- C74H116CrN13O17S2
- Average molar mass
- 1,575.9 g/mol
- Monoisotopic mass
- 1,574.745861
Names & identifiers
- Preferred name
- Chromium(3+);4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate;tris(2-(dodecylamino)ethanol);hydron;4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate
- IUPAC
- chromium(3+);4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate;tris(2-(dodecylamino)ethanol);hydron;4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate
Names & synonyms
Trihydrogen 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 2-(dodecylamino)ethanol (1:3)
Database identifiers
- CAS
94292-06-5- PubChem CID
- 175604
Properties
Computed structural properties
- Topological polar surface area
- 486 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 44
- Heavy atoms
- 107
- Formal charge
- 0
- Complexity
- 820
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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