Category
Heterocyclic Organic Compound
Synonyms
Dimethylenedioxybenzphenanthridine
IUPAC Name
24-Methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
Molecular Formula
C20H14NO4
Canonical SMILES
C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
InChI
InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
InChI Key
INVGWHRKADIJHF-UHFFFAOYSA-N
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
Monoisotopic Mass
332.09228293
Topological Polar Surface Area
40.8 Ų