Basic information
- CAS
15876-44-5- Standard SMILES
O=S(=O)([O-])c1ccc2c(N=Nc3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1.[Al+3]- InChIKey
VGVCYVQGAQCIRY-UHFFFAOYSA-K- Molecular formula
- C20H11AlN2O10S3
- Average molar mass
- 562.5 g/mol
- Monoisotopic mass
- 561.9391215
Names & identifiers
- Preferred name
- (3-Hydroxy-4-((4-sulpho-1-naphthyl)azo)naphthalene-2,7-disulphonato(3-))aluminium
- IUPAC
- aluminum 3-hydroxy-4-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonate
Names & synonyms
15876-44-5EINECS 240-007-8(3-Hydroxy-4-((4-sulpho-1-naphthyl)azo)naphthalene-2,7-disulphonato(3-))aluminiumANHPOQKNMYPZJO-GXTSIBQPSA-K
Database identifiers
- CAS
15876-44-5- PubChem CID
- 85161
- EC Number
- 240-007-8
Properties
Computed structural properties
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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