Basic information
- CAS
16508-79-5- Standard SMILES
O=C(O)c1cc2ccccc2c(N=Nc2ccccc2)c1[O-].O=C(O)c1cc2ccccc2c(N=Nc2ccccc2)c1[O-].[Ba+2]- InChIKey
ITNFCVJTUWLRSR-UHFFFAOYSA-L- Molecular formula
- C34H22BaN4O6
- Average molar mass
- 719.9 g/mol
- Monoisotopic mass
- 720.059181
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-phenyldiazenyl)-, barium salt (2:1)
- IUPAC
- barium(2+);bis(3-carboxy-1-phenyldiazenylnaphthalen-2-olate)
Names & synonyms
2-Naphthalenecarboxylic acid, 3-hydroxy-4-(2-phenyldiazenyl)-, barium salt (2:1)16508-79-5HV496G2ZEQDTXSID101362597
Database identifiers
- CAS
16508-79-5- PubChem CID
- 136019488
- DTXSID
DTXSID101362597- UNII
- HV496G2ZEQ
- EC Number
- 605-387-5
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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