methyl 9-(1,3-benzodithiol-2-ylidene)-2,5,7-trinitro-fluorene-4-carboxylate

Systemtic Name: methyl 9-(1,3-benzodithiol-2-ylidene)-2,5,7-trinitro-fluorene-4-carboxylate Openeye Name: methyl 9-(1,3-benzodithiol-2-ylidene)-2,5,7-trinitro-fluorene-4-carboxylate CAS Name: 9-(1,3-benzodithiol-2-ylidene)-2,5,7-trinitro-4-fluorenecarboxylic acid methyl ester IUPAC Name: methyl 9-(1,3-benzodithiol-2-ylidene)-2,5,7-trinitrofluorene-4-carboxylate Traditional Name: 9-(1,3-benzodithiol-2-ylidene)-2,5,7-trinitro-fluorene-4-carboxylic acid methyl ester Formula: C22H11N3O8S2 MolecularWeight: 509.46804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H11N3O8S2/c1-33-21(26)14-8-10(23(27)28)6-12-18(14)20-13(7-11(24(29)30)9-15(20)25(31)32)19(12)22-34-16-4-2-3-5-17(16)35-22/h2-9H,1H3