Basic information
- CAS
93965-14-1- Standard SMILES
N#[N+]c1ccc2c(S(=O)(=O)Oc3ccc(C(=O)c4ccccc4)c(OS(=O)(=O)c4cccc5c([O-])c([N+]#N)ccc45)c3O)cccc2c1[O-]- InChIKey
SPPKYAUSRDAJAE-UHFFFAOYSA-N- Molecular formula
- C33H18N4O10S2
- Average molar mass
- 694.6 g/mol
- Monoisotopic mass
- 694.04643513
Names & identifiers
- Preferred name
- 4-Benzoyl-2-hydroxy-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
- IUPAC
- 5-[4-benzoyl-3-(6-diazonio-5-oxidonaphthalen-1-yl)sulfonyloxy-2-hydroxyphenoxy]sulfonyl-2-diazonionaphthalen-1-olate
Names & synonyms
93965-14-1EINECS 300-962-44-Benzoyl-2-hydroxy-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)NS00064022
Database identifiers
- CAS
93965-14-1- PubChem CID
- 44153252
- DTXSID
DTXSID40916813- EC Number
- 300-962-4
- Nikkaji
- J367.833D
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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