imidazol-3-ide; iron(6+); (Z)-4-oxidanyl-2,3-diphenyl-but-2-en-1-one

Systemtic Name: imidazol-3-ide; iron(6+); (Z)-4-oxidanyl-2,3-diphenyl-but-2-en-1-one Openeye Name: (Z)-4-hydroxy-2,3-diphenyl-but-2-en-1-one; imidazol-3-ide; iron(6+) CAS Name: (Z)-4-hydroxy-2,3-diphenyl-2-buten-1-one; imidazol-3-ide; iron(6+) IUPAC Name: (Z)-4-hydroxy-2,3-diphenylbut-2-en-1-one; imidazol-3-ide; iron(6+) Traditional Name: (Z)-4-hydroxy-2,3-diphenyl-but-2-en-1-one; imidazol-3-ide; iron(6+) Formula: C38H30FeN4O4 MolecularWeight: 662.5142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C([C-]=O)C2=CC=CC=C2)[CH-]O.C1=CC=C(C=C1)C(=C([C-]=O)C2=CC=CC=C2)[CH-]O.C1=CN=C[N-]1.C1=CN=C[N-]1.[Fe+6]

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/[C-]=O)/[CH-]O.C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/[C-]=O)/[CH-]O.C1=CN=C[N-]1.C1=CN=C[N-]1.[Fe+6]

InChI

InChI=1S/2C16H12O2.2C3H3N2.Fe/c2*17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14;2*1-2-5-3-4-1;/h2*1-11,17H;2*1-3H;/q2*-2;2*-1;+6/b2*16-15-;;;