Calcium hydrogen 3-hydroxy-4-((4-methyl-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate
Basic information
- CAS
79953-84-7- Standard SMILES
Cc1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)[O-])ccc23)c(S(=O)(=O)[O-])c1.[Ca+2]- InChIKey
CJBCNROLOVSQOT-UHFFFAOYSA-N- Molecular formula
- C17H12CaN2O10S3
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 539.927999
Names & identifiers
- Preferred name
- Calcium hydrogen 3-hydroxy-4-((4-methyl-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate
- IUPAC
- calcium 6-hydroxy-5-[(4-methyl-2-sulfonatophenyl)diazenyl]-7-sulfonaphthalene-2-sulfonate
- English name
- calcium hydrogen 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
- Molecular formula
- C17H12CaN2O10S3
- Molecular weight
- 542.58
Names & synonyms
79953-84-7EINECS 279-355-0Calcium hydrogen 3-hydroxy-4-((4-methyl-2-sulphonatophenyl)azo)naphthalene-2,7-disulphonateDTXSID701000858Calcium 5-[2-(4-methyl-2-sulfonatophenyl)hydrazinylidene]-6-oxo-7-sulfo-5,6-dihydronaphthalene-2-sulfonateCalcium hydrogen 3-hydroxy-4-[(4-methyl-2-sulfonatophenyl)azo]naphthalene-2,7-disulfonatecalcium hydrogen 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
Database identifiers
- CAS
79953-84-7- PubChem CID
- 136171024
- DTXSID
DTXSID701000858- EC Number
- 279-355-0
Properties
Computed structural properties
- Topological polar surface area
- 239 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 999
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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