butyl 2,5,7-trinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate

Systemtic Name: butyl 2,5,7-trinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate Openeye Name: butyl 2,5,7-trinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate CAS Name: 2,5,7-trinitro-9-(2-thieno[3,4-d][1,3]dithiolylidene)-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl 2,5,7-trinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidenefluorene-4-carboxylate Traditional Name: 2,5,7-trinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylic acid butyl ester Formula: C23H15N3O8S3 MolecularWeight: 557.5755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=C3SC4=CSC=C4S3)C5=CC(=CC(=C52)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=C3SC4=CSC=C4S3)C5=CC(=CC(=C52)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O8S3/c1-2-3-4-34-22(27)15-7-11(24(28)29)5-13-19(15)21-14(6-12(25(30)31)8-16(21)26(32)33)20(13)23-36-17-9-35-10-18(17)37-23/h5-10H,2-4H2,1H3