Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12- InChIKey
PLVZEZVDPRFOKS-UHFFFAOYSA-N- Molecular formula
- C18H14N2O10S2
- Average molar mass
- 482.4 g/mol
Names & identifiers
- Preferred name
- 5-Hydroxy-4-(5-nitro-o-toluamido)-1,7-naphthalenedisulfonic acid
- IUPAC
- 5-hydroxy-4-[(2-methyl-4-nitrobenzoyl)amino]naphthalene-1,7-disulfonic acid
Names & synonyms
SCHEMBL11444026PLVZEZVDPRFOKS-UHFFFAOYSA-N5-hydroxy-4-(5-nitro-o-toluamido)-1,7-naphthalenedisulfonic acid
Database identifiers
- PubChem CID
- 56996136
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 221 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 936
Related reactions
3 records
Compound notes
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