Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)Oc2nc3ccccc3c3c2C(=O)c2cnccc2-3)cc1- InChIKey
KLUUZESESNIQHH-UHFFFAOYSA-N- Molecular formula
- C22H14N2O4S
- Average molar mass
- 402.4 g/mol
Names & identifiers
- Preferred name
- toluene-4-sulfonic acid 7-oxo-7H-5,9-diaza-benzo[c]fluoren-6-yl ester
- IUPAC
- (11-oxo-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-9-yl) 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL5784090KLUUZESESNIQHH-UHFFFAOYSA-Ntoluene-4-sulfonic acid 7-oxo-7H-5,9-diaza-benzo[c]fluoren-6-yl ester
Database identifiers
- PubChem CID
- 20829786
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 728
Related reactions
2 records
Compound notes
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