cyclopenta-2,4-diene-1-carbaldehyde; 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,4,7-trinitro-fluorene; iron

Systemtic Name: cyclopenta-2,4-diene-1-carbaldehyde; 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,4,7-trinitro-fluorene; iron Openeye Name: cyclopenta-2,4-diene-1-carbaldehyde; 9-(cyclopenta-2,4-dien-1-ylmethylene)-2,4,7-trinitro-fluorene; iron CAS Name: 1-cyclopenta-2,4-dienecarboxaldehyde; 9-(1-cyclopenta-2,4-dienylmethylidene)-2,4,7-trinitrofluorene; iron IUPAC Name: cyclopenta-2,4-diene-1-carbaldehyde; 9-(cyclopenta-2,4-dien-1-ylmethylidene)-2,4,7-trinitrofluorene; iron Traditional Name: cyclopenta-2,4-diene-1-carbaldehyde; 9-(cyclopenta-2,4-dien-1-ylmethylene)-2,4,7-trinitro-fluorene; iron Formula: C25H15FeN3O7-2 MolecularWeight: 525.2475

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[C-](C=C1)C=C2C3=CC(=CC(=C3C4=C2C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C[C-](C=C1)C=O.[Fe]

Isomeric SMILES

C1=C[C-](C=C1)C=C2C3=CC(=CC(=C3C4=C2C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C[C-](C=C1)C=O.[Fe]

InChI

InChI=1S/C19H10N3O6.C6H5O.Fe/c23-20(24)12-5-6-14-16(8-12)15(7-11-3-1-2-4-11)17-9-13(21(25)26)10-18(19(14)17)22(27)28;7-5-6-3-1-2-4-6;/h1-10H;1-5H;/q2*-1;