Basic information
- CAS
10042-50-9- Standard SMILES
CC1=CC(=O)OC2=CC(OS(=O)(=O)[O-])=C(OS(=O)(=O)[O-])CC12.CC1=CC(=O)OC2=CC(OS(=O)(=O)[O-])=C(OS(=O)(=O)[O-])CC12.CC1=CC(=O)OC2=CC(OS(=O)(=O)[O-])=C(OS(=O)(=O)[O-])CC12.[Bi+3].[Bi+3]- InChIKey
XOOIDECCVQXLRL-UHFFFAOYSA-H- Molecular formula
- C30H24Bi2O30S6
- Average molar mass
- 1,474.9 g/mol
- Monoisotopic mass
- 1,473.82846
Names & identifiers
- Preferred name
- Bismuth (4-methyl-2-oxo-2H-1-benzopyran-6,7-diyl)disulphate (2:3)
- IUPAC
- dibismuth;tris((4-methyl-2-oxo-6-sulfonatooxy-4a,5-dihydrochromen-7-yl) sulfate)
Names & synonyms
EINECS 233-125-610042-50-9Bismuth (4-methyl-2-oxo-2H-1-benzopyran-6,7-diyl)disulphate (2:3)XOOIDECCVQXLRL-UHFFFAOYSA-H
Database identifiers
- CAS
10042-50-9- PubChem CID
- 133065713
- EC Number
- 233-125-6
Properties
Computed structural properties
- Topological polar surface area
- 528 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 30
- Rotatable bonds
- 6
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…