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

Systemtic Name: butyl 7-nitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate Openeye Name: butyl 7-nitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate CAS Name: 7-nitro-9-(2-thieno[3,4-d][1,3]dithiolylidene)-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl 7-nitro-9-thieno[3,4-d][1,3]dithiol-2-ylidenefluorene-4-carboxylate Traditional Name: 7-nitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylic acid butyl ester Formula: C23H17NO4S3 MolecularWeight: 467.58038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC2=C1C3=C(C2=C4SC5=CSC=C5S4)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=CC2=C1C3=C(C2=C4SC5=CSC=C5S4)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H17NO4S3/c1-2-3-9-28-22(25)16-6-4-5-15-20(16)14-8-7-13(24(26)27)10-17(14)21(15)23-30-18-11-29-12-19(18)31-23/h4-8,10-12H,2-3,9H2,1H3