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Basic information
- 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- InChIKey
DLKHFQBSDPCDNS-UHFFFAOYSA-N- Molecular formula
- C38H34Cl2N8O8S2
- Average molar mass
- 865.8 g/mol
- Monoisotopic mass
- 864.1318078
Names & identifiers
- Preferred name
- 4-chloro-3-[4-[[4-[1-[4-[[1-(2-chloro-5-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
- IUPAC
- 4-chloro-3-[4-[[4-[1-[4-[[1-(2-chloro-5-sulfophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Database identifiers
- PubChem CID
- 166306
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,760
Related reactions
0 records
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Compound notes
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