1-anthracen-9-yl-3-cyclopenta-2,4-dien-1-yl-prop-2-en-1-one; cyclopenta-1,3-diene; iron

Systemtic Name: 1-anthracen-9-yl-3-cyclopenta-2,4-dien-1-yl-prop-2-en-1-one; cyclopenta-1,3-diene; iron Openeye Name: 1-(9-anthryl)-3-cyclopenta-2,4-dien-1-yl-prop-2-en-1-one; cyclopenta-1,3-diene; iron CAS Name: 1-(9-anthracenyl)-3-(1-cyclopenta-2,4-dienyl)-2-propen-1-one; cyclopenta-1,3-diene; iron IUPAC Name: 1-anthracen-9-yl-3-cyclopenta-2,4-dien-1-ylprop-2-en-1-one; cyclopenta-1,3-diene; iron Traditional Name: 1-(9-anthryl)-3-cyclopenta-2,4-dien-1-yl-prop-2-en-1-one; cyclopenta-1,3-diene; iron Formula: C27H20FeO-2 MolecularWeight: 416.2921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)C=C[C-]4C=CC=C4.[Fe]

Isomeric SMILES

[CH-]1C=CC=C1.C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)C=C[C-]4C=CC=C4.[Fe]

InChI

InChI=1S/C22H15O.C5H5.Fe/c23-21(14-13-16-7-1-2-8-16)22-19-11-5-3-9-17(19)15-18-10-4-6-12-20(18)22;1-2-4-5-3-1;/h1-15H;1-5H;/q2*-1;