Basic information
- CAS
98207-92-2- Standard SMILES
COc1cc2c(OC(C)=O)c3c4cc(OC)c(OC)cc4c(C)[n+](C)c3c(OC(C)=O)c2cc1OC.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
XABFFPGQINJJSX-UHFFFAOYSA-M- Molecular formula
- C27H28ClNO12
- Average molar mass
- 594 g/mol
- Monoisotopic mass
- 593.130003
Names & identifiers
- Preferred name
- Benzo(b)phenanthridinium, 7,12-bis(acetyloxy)-5,6-dimethyl-2,3,9,10-tetramethoxy-, perchlorate
- IUPAC
- (7-acetyloxy-2,3,9,10-tetramethoxy-5,6-dimethylbenzo[b]phenanthridin-6-ium-12-yl) acetate perchlorate
Names & synonyms
Benzo(b)phenanthridinium, 7,12-bis(acetyloxy)-5,6-dimethyl-2,3,9,10-tetramethoxy-, perchlorate98207-92-2DTXSID802435147,12-Bis(acetyloxy)-5,6-dimethyl-2,3,9,10-tetramethoxybenzo(b)phenanthridinium perchlorate7,12-Diacetoxy-5,6-dimethyl-2,3,9,10-tetramethoxybenzo(b)phenanthridinium perchlorateRefChem:326153DTXCID101660057,12-Bis(acetyloxy)-2,3,9,10-tetramethoxy-5,6-dimethylbenzo[b]phenanthridin-6-ium perchlorate
Database identifiers
- CAS
98207-92-2- PubChem CID
- 57348
- DTXSID
DTXSID80243514
Properties
Computed structural properties
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 890
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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