methyl 9-(1,3-benzodithiol-2-ylidene)-2,7-dinitro-fluorene-4-carboxylate

Systemtic Name: methyl 9-(1,3-benzodithiol-2-ylidene)-2,7-dinitro-fluorene-4-carboxylate Openeye Name: methyl 9-(1,3-benzodithiol-2-ylidene)-2,7-dinitro-fluorene-4-carboxylate CAS Name: 9-(1,3-benzodithiol-2-ylidene)-2,7-dinitro-4-fluorenecarboxylic acid methyl ester IUPAC Name: methyl 9-(1,3-benzodithiol-2-ylidene)-2,7-dinitrofluorene-4-carboxylate Traditional Name: 9-(1,3-benzodithiol-2-ylidene)-2,7-dinitro-fluorene-4-carboxylic acid methyl ester Formula: C22H12N2O6S2 MolecularWeight: 464.47048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C4SC5=CC=CC=C5S4)C2=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C4SC5=CC=CC=C5S4)C2=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C22H12N2O6S2/c1-30-21(25)16-10-12(24(28)29)9-15-19(16)13-7-6-11(23(26)27)8-14(13)20(15)22-31-17-4-2-3-5-18(17)32-22/h2-10H,1H3