7-Hydroxy-8-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Basic information
- CAS
6330-83-2- Standard SMILES
Cc1ccccc1N=Nc1ccc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c(C)c1- InChIKey
MGOSORQIYUOFSQ-UHFFFAOYSA-N- Molecular formula
- C24H20N4O7S2
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.07734134
Names & identifiers
- Preferred name
- 7-Hydroxy-8-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
- IUPAC
- 7-hydroxy-8-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Names & synonyms
NSC456016330-83-2CHEMBL1974478SCHEMBL14418376DTXSID40421795NSC-45601(8Z)-8-(2-{2-Methyl-4-[(E)-(2-methylphenyl)diazenyl]phenyl}hydrazinylidene)-7-oxo-7,8-dihydronaphthalene-1,3-disulfonic acid
Database identifiers
- CAS
6330-83-2- PubChem CID
- 413230
- DTXSID
DTXSID40421795- ChEMBL
CHEMBL1974478- Nikkaji
- J3.720.317C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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