2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,5,7-trinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate

Systemtic Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,5,7-trinitro-9-thieno[3,4-d][1,3]dithiol-2-ylidene-fluorene-4-carboxylate Openeye Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 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 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester IUPAC Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl 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 2-[2-(2-methoxyethoxy)ethoxy]ethyl ester Formula: C26H21N3O11S3 MolecularWeight: 647.65344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COCCOCCOCCOC(=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/C26H21N3O11S3/c1-37-2-3-38-4-5-39-6-7-40-25(30)18-10-14(27(31)32)8-16-22(18)24-17(9-15(28(33)34)11-19(24)29(35)36)23(16)26-42-20-12-41-13-21(20)43-26/h8-13H,2-7H2,1H3