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Basic information
- CAS
72828-65-0- Standard SMILES
CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1N=Nc1ccc(C2(c3ccc(N=NC4C(=O)N(c5cc(S(=O)(=O)[O-])ccc5Cl)N=C4C)cc3)CCCCC2)cc1.[Na+].[Na+]- InChIKey
HEOPACURWUVTNI-UHFFFAOYSA-L- Molecular formula
- C38H32Cl2N8Na2O8S2
- Average molar mass
- 909.7 g/mol
- Monoisotopic mass
- 908.0956963
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, sodium salt (1:2)
- IUPAC
- disodium;4-chloro-3-[4-[[4-[1-[4-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
- English name
- disodium 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]
- Molecular formula
- C38H32Cl2N8Na2O8S2
- Molecular weight
- 909.72502
Names & synonyms
72828-65-0EINECS 276-880-7DTXSID50890291Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium saltBenzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, sodium salt (1:2)Benzenesulfonic acid, 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, disodium saltBenzenesulfonic acid, 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, sodium salt (1:2)RefChem:117862DTXCID301029543HEOPACURWUVTNI-UHFFFAOYSA-LNS00062416Disodium 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chlorobenzenesulphonate)
Show more names
disodium 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 246 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,730
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzenesulfonic acid, 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, disodium salt (72828-65-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
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Compound notes
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