3,5-bis(2-cyclopenta-2,4-dien-1-ylethenyl)benzaldehyde; cyclopenta-1,3-diene; iron

Systemtic Name: 3,5-bis(2-cyclopenta-2,4-dien-1-ylethenyl)benzaldehyde; cyclopenta-1,3-diene; iron Openeye Name: 3,5-bis(2-cyclopenta-2,4-dien-1-ylvinyl)benzaldehyde; cyclopenta-1,3-diene; iron CAS Name: 3,5-bis[2-(1-cyclopenta-2,4-dienyl)ethenyl]benzaldehyde; cyclopenta-1,3-diene; iron IUPAC Name: 3,5-bis(2-cyclopenta-2,4-dien-1-ylethenyl)benzaldehyde; cyclopenta-1,3-diene; iron Traditional Name: 3,5-bis(2-cyclopenta-2,4-dien-1-ylvinyl)benzaldehyde; cyclopenta-1,3-diene; iron Formula: C31H26Fe2O-4 MolecularWeight: 526.22754

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[C-](C=C1)C=CC2=CC(=CC(=C2)C=O)C=C[C-]3C=CC=C3.[Fe].[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=C[C-](C=C1)C=CC2=CC(=CC(=C2)C=O)C=C[C-]3C=CC=C3.[Fe].[Fe]

InChI

InChI=1S/C21H16O.2C5H5.2Fe/c22-16-21-14-19(11-9-17-5-1-2-6-17)13-20(15-21)12-10-18-7-3-4-8-18;2*1-2-4-5-3-1;;/h1-16H;2*1-5H;;/q-2;2*-1;;