Basic information
- CAS
6300-39-6- Standard SMILES
O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(N=Nc3c(O)ccc4ccccc34)ccc2c1- InChIKey
ODOJGWXYQYRBNB-UHFFFAOYSA-N- Molecular formula
- C20H14N2O7S2
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.02424314
Names & identifiers
- Preferred name
- 7-[(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid
- IUPAC
- 7-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid
Names & synonyms
NSC455806300-39-6CHEMBL2005754DTXSID30430472NSC-455807-[(2Z)-2-(2-Oxonaphthalen-1(2H)-ylidene)hydrazin-1-yl]naphthalene-1,3-disulfonic acid
Database identifiers
- CAS
6300-39-6- PubChem CID
- 413221
- DTXSID
DTXSID30430472- ChEMBL
CHEMBL2005754
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 880
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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