Benz(a)anthracene-7-methanol, hydrogen sulfate, sodium salt
Basic information
- CAS
105708-80-3- Standard SMILES
O=S(=O)([O-])[O-].OCc1c2ccccc2cc2c1ccc1ccccc12.OCc1c2ccccc2cc2c1ccc1ccccc12.[Na+].[Na+]- InChIKey
CGKONRUASVZCPC-UHFFFAOYSA-L- Molecular formula
- C38H28Na2O6S
- Average molar mass
- 658.7 g/mol
- Monoisotopic mass
- 658.14019835
Names & identifiers
- Preferred name
- Benz(a)anthracene-7-methanol, hydrogen sulfate, sodium salt
- IUPAC
- disodium;bis(benzo[a]anthracen-7-ylmethanol);sulfate
Names & synonyms
105708-80-3Benz(a)anthracene-7-methanol, hydrogen sulfate, sodium saltCCRIS 2796BENZ[A]ANTHRACENE-7-METHANOL, HYDROGEN SULFATE, SODIUM SALT7-Hydroxymethylbenz(a)anthracene sodium sulphateDTXSID50909690Sodium sulfate--(tetraphen-7-yl)methanol (2/1/2)
Database identifiers
- CAS
105708-80-3- PubChem CID
- 153228
- DTXSID
DTXSID50909690
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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