methyl hydrogen sulfate; 5-methyl-6-naphthalen-1-yl-8-nitro-phenanthridin-5-ium

Systemtic Name: methyl hydrogen sulfate; 5-methyl-6-naphthalen-1-yl-8-nitro-phenanthridin-5-ium Openeye Name: methyl hydrogen sulfate; 5-methyl-6-(1-naphthyl)-8-nitro-phenanthridin-5-ium CAS Name: 5-methyl-6-(1-naphthalenyl)-8-nitrophenanthridin-5-ium; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 5-methyl-6-naphthalen-1-yl-8-nitrophenanthridin-5-ium Traditional Name: 5-methyl-6-(1-naphthyl)-8-nitro-phenanthridin-5-ium; sulfuric acid methyl ester Formula: C25H21N2O6S+ MolecularWeight: 477.50904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C31)C4=CC=CC5=CC=CC=C54.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C31)C4=CC=CC5=CC=CC=C54.COS(=O)(=O)O

InChI

InChI=1S/C24H17N2O2.CH4O4S/c1-25-23-12-5-4-10-20(23)19-14-13-17(26(27)28)15-22(19)24(25)21-11-6-8-16-7-2-3-9-18(16)21;1-5-6(2,3)4/h2-15H,1H3;1H3,(H,2,3,4)/q+1;