Synonyms
4,5-Diazafluorene-9-one O-Tosyloxime
IUPAC Name
(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylideneamino) 4-methylbenzenesulfonate;
Molecular Weight
351.37
Molecular Formula
C18H13N3O3S
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)ON=C2C3=C(C4=C2C=CC=N4)N=CC=C3;
InChI
InChI=1S/C18H13N3O3S/c1-12-6-8-13(9-7-12)25(22,23)24-21-16-14-4-2-10-19-17(14)18-15(16)5-3-11-20-18/h2-11H,1H3;
InChI Key
UWCROCJSYGJGEJ-UHFFFAOYSA-N;
Purity
98%+
Appearance
Powder or crystal
Complexity
584
Covalently-Bonded Unit Count
1
Exact Mass
351.068g/mol
H-Bond Acceptor
6
Heavy Atom Count
25
Monoisotopic Mass
351.068g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
89.9A^2
