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

Systemtic Name: butyl 2,7-dinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H16N2O6S3 MolecularWeight: 512.57794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O6S3/c1-2-3-6-31-22(26)17-9-13(25(29)30)8-16-20(17)14-5-4-12(24(27)28)7-15(14)21(16)23-33-18-10-32-11-19(18)34-23/h4-5,7-11H,2-3,6H2,1H3