Basic information
- CAS
50626-32-9- Standard SMILES
CN1C2Cc3ccccc3C1c1ccc(Cl)cc12.O=C(O)/C=C/C(=O)O- InChIKey
WSNZRZXFZIOYMJ-WLHGVMLRSA-N- Molecular formula
- C20H18ClNO4
- Average molar mass
- 371.8 g/mol
- Monoisotopic mass
- 371.0924357
Names & identifiers
- Preferred name
- 5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-8-chloro-12-methyl-, (+-)-, (E)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;12-chloro-16-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10(15),11,13-hexaene
Names & synonyms
50626-32-95H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-8-chloro-12-methyl-, (+-)-, (E)-2-butenedioate (1:1)RefChem:1073455dl-8-Chloro-12-methyl-10,11-dihydro-5,10-imino-(5H)-dibenzo(a,d)cycloheptene fumarate
Database identifiers
- CAS
50626-32-9- PubChem CID
- 6445869
Properties
Computed structural properties
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…