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

Systemtic Name: butyl (9Z)-2,5,7-trinitro-9-(5-phenyl-1,2-dithiol-3-ylidene)fluorene-4-carboxylate Openeye Name: butyl (9Z)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylate CAS Name: (9Z)-2,5,7-trinitro-9-(5-phenyl-3-dithiolylidene)-4-fluorenecarboxylic acid butyl ester IUPAC Name: butyl (9Z)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylate Traditional Name: (9Z)-2,5,7-trinitro-9-(5-phenyldithiol-3-ylidene)fluorene-4-carboxylic acid butyl ester Formula: C27H19N3O8S2 MolecularWeight: 577.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=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

CCCCOC(=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/C27H19N3O8S2/c1-2-3-9-38-27(31)20-12-16(28(32)33)10-18-24(23-14-22(39-40-23)15-7-5-4-6-8-15)19-11-17(29(34)35)13-21(30(36)37)26(19)25(18)20/h4-8,10-14H,2-3,9H2,1H3/b24-23-