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

Systemtic Name: 2,7-dinitro-9-(4-phenyl-1,3-dithiol-1-ium-2-yl)-9H-fluorene-4-carboxylic acid; hydrogen sulfate Openeye Name: 2,7-dinitro-9-(4-phenyl-1,3-dithiol-1-ium-2-yl)-9H-fluorene-4-carboxylic acid; hydrogen sulfate CAS Name: 2,7-dinitro-9-(4-phenyl-1,3-dithiol-1-ium-2-yl)-9H-fluorene-4-carboxylic acid; hydrogen sulfate IUPAC Name: 2,7-dinitro-9-(4-phenyl-1,3-dithiol-1-ium-2-yl)-9H-fluorene-4-carboxylic acid; hydrogen sulfate Traditional Name: 2,7-dinitro-9-(4-phenyl-1,3-dithiol-1-ium-2-yl)-9H-fluorene-4-carboxylic acid bisulfate Formula: C23H14N2O10S3 MolecularWeight: 574.55966

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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=C5C(=O)O)[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=C5C(=O)O)[N+](=O)[O-].OS(=O)(=O)[O-]

InChI

InChI=1S/C23H12N2O6S2.H2O4S/c26-22(27)18-10-14(25(30)31)9-17-20(18)15-7-6-13(24(28)29)8-16(15)21(17)23-32-11-19(33-23)12-4-2-1-3-5-12;1-5(2,3)4/h1-11,21H;(H2,1,2,3,4)