Basic information
- CAS
172343-42-9- Standard SMILES
O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12)c1ccc([N+](=O)[O-])cc1- InChIKey
LXBDMUVQELXOKG-UHFFFAOYSA-N- Molecular formula
- C17H12N2O10S2
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 467.99333693
Names & identifiers
- Preferred name
- 4-Hydroxy-5-[(4-nitrobenzoyl)amino]naphthalene-2,7-disulfonic acid
- IUPAC
- 4-hydroxy-5-[(4-nitrobenzoyl)amino]naphthalene-2,7-disulfonic acid
Names & synonyms
4-hydroxy-5-[(4-nitrobenzoyl)amino]naphthalene-2,7-disulfonic acidSCHEMBL8755454LXBDMUVQELXOKG-UHFFFAOYSA-NDTXSID9011664764-hydroxy-5-(4-nitrobenzamido)naphthalene-2,7-disulfonic acid172343-42-98-(p-Nitrobenzamido)-1-naphthol-3,6-disulfonic acid4-Hydroxy-5-[(4-nitrobenzoyl)amino]-2,7-naphthalenedisulfonic acid
Database identifiers
- CAS
172343-42-9- PubChem CID
- 459016
- DTXSID
DTXSID901166476- Nikkaji
- J53.397A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 897
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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