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

Systemtic Name: methyl 2,5,7-trinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H9N3O8S3 MolecularWeight: 515.49576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C20H9N3O8S3/c1-31-19(24)12-4-8(21(25)26)2-10-16(12)18-11(3-9(22(27)28)5-13(18)23(29)30)17(10)20-33-14-6-32-7-15(14)34-20/h2-7H,1H3