2-(2,7-dinitro-9H-fluoren-9-yl)-4-phenyl-1,3-dithiol-1-ium; hydrogen sulfate

Systemtic Name: 2-(2,7-dinitro-9H-fluoren-9-yl)-4-phenyl-1,3-dithiol-1-ium; hydrogen sulfate Openeye Name: 2-(2,7-dinitro-9H-fluoren-9-yl)-4-phenyl-1,3-dithiol-1-ium; hydrogen sulfate CAS Name: 2-(2,7-dinitro-9H-fluoren-9-yl)-4-phenyl-1,3-dithiol-1-ium; hydrogen sulfate IUPAC Name: 2-(2,7-dinitro-9H-fluoren-9-yl)-4-phenyl-1,3-dithiol-1-ium; hydrogen sulfate Traditional Name: 2-(2,7-dinitro-9H-fluoren-9-yl)-4-phenyl-1,3-dithiol-1-ium bisulfate Formula: C22H14N2O8S3 MolecularWeight: 530.55016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C[S+]=C(S2)C3C4=C(C=CC(=C4)[N+](=O)[O-])C5=C3C=C(C=C5)[N+](=O)[O-].OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C[S+]=C(S2)C3C4=C(C=CC(=C4)[N+](=O)[O-])C5=C3C=C(C=C5)[N+](=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C22H13N2O4S2.H2O4S/c25-23(26)14-6-8-16-17-9-7-15(24(27)28)11-19(17)21(18(16)10-14)22-29-12-20(30-22)13-4-2-1-3-5-13;1-5(2,3)4/h1-12,21H;(H2,1,2,3,4)/q+1;/p-1