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

Systemtic Name: methyl (9E)-2,5,7-trinitro-9-(5-phenyl-1,2-dithiol-3-ylidene)fluorene-4-carboxylate Openeye Name: methyl (9E)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylate CAS Name: (9E)-2,5,7-trinitro-9-(5-phenyl-3-dithiolylidene)-4-fluorenecarboxylic acid methyl ester IUPAC Name: methyl (9E)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylate Traditional Name: (9E)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylic acid methyl ester Formula: C24H13N3O8S2 MolecularWeight: 535.50532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C(=C3C=C(SS3)C4=CC=CC=C4)C5=CC(=CC(=C52)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])/C(=C\3/C=C(SS3)C4=CC=CC=C4)/C5=CC(=CC(=C52)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H13N3O8S2/c1-35-24(28)17-9-13(25(29)30)7-15-21(20-11-19(36-37-20)12-5-3-2-4-6-12)16-8-14(26(31)32)10-18(27(33)34)23(16)22(15)17/h2-11H,1H3/b21-20+