Basic information
- CAS
82387-11-9- Standard SMILES
C[NH2+]CCCC1Sc2ccccc2Oc2ccccc21.O=C([O-])C(=O)O- InChIKey
BLYDUCXITICPMK-UHFFFAOYSA-N- Molecular formula
- C19H21NO5S
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.11404394
Overview
See other relationships...
Names & identifiers
- Preferred name
- 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate
- IUPAC
- 3-(6H-benzo[b][1,5]benzoxathiepin-6-yl)propyl-methylazanium;2-hydroxy-2-oxoacetate
Database identifiers
- CAS
82387-11-9- PubChem CID
- 54858
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…