cyclopenta-1,3-diene; (E)-3-cyclopenta-1,3-dien-1-yl-1-(4-methyl-2-phenylmethoxy-phenyl)prop-2-en-1-one; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; (E)-3-cyclopenta-1,3-dien-1-yl-1-(4-methyl-2-phenylmethoxy-phenyl)prop-2-en-1-one; iron(2+) Openeye Name: ferrous; (E)-1-(2-benzyloxy-4-methyl-phenyl)-3-cyclopenta-1,3-dien-1-yl-prop-2-en-1-one; cyclopenta-1,3-diene CAS Name: cyclopenta-1,3-diene; (E)-3-(1-cyclopenta-1,3-dienyl)-1-(4-methyl-2-phenylmethoxyphenyl)-2-propen-1-one; iron(2+) IUPAC Name: cyclopenta-1,3-diene; (E)-3-cyclopenta-1,3-dien-1-yl-1-(4-methyl-2-phenylmethoxyphenyl)prop-2-en-1-one; iron(2+) Traditional Name: ferrous; (E)-1-(2-benzoxy-4-methyl-phenyl)-3-cyclopenta-1,3-dien-1-yl-prop-2-en-1-one; cyclopenta-1,3-diene Formula: C27H24FeO2 MolecularWeight: 436.32326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C=CC2=CC=C[CH-]2)OCC3=CC=CC=C3.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C[CH-]2)OCC3=CC=CC=C3.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C22H19O2.C5H5.Fe/c1-17-11-13-20(21(23)14-12-18-7-5-6-8-18)22(15-17)24-16-19-9-3-2-4-10-19;1-2-4-5-3-1;/h2-15H,16H2,1H3;1-5H;/q2*-1;+2/b14-12+;;