methyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate

Systemtic Name: methyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate Openeye Name: methyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate CAS Name: 2,7-dinitro-9-(2-thieno[3,4-d][1,3]dithiolylidene)-4-fluorenecarboxylic acid methyl ester IUPAC Name: methyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidenefluorene-4-carboxylate Traditional Name: 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylic acid methyl ester Formula: C20H10N2O6S3 MolecularWeight: 470.4982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H10N2O6S3/c1-28-19(23)14-6-10(22(26)27)5-13-17(14)11-3-2-9(21(24)25)4-12(11)18(13)20-30-15-7-29-8-16(15)31-20/h2-8H,1H3