hafnium(4+); [2-methyl-3-[(5-methyl-4-phenyl-cyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,3-dien-1-yl]benzene; 2-oxidanylprop-2-enoate

Systemtic Name: hafnium(4+); [2-methyl-3-[(5-methyl-4-phenyl-cyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,3-dien-1-yl]benzene; 2-oxidanylprop-2-enoate Openeye Name: hafnium(4+); 2-hydroxyprop-2-enoate; [2-methyl-3-[(5-methyl-4-phenyl-cyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,3-dien-1-yl]benzene CAS Name: hafnium(4+); 2-hydroxy-2-propenoate; [2-methyl-3-[(5-methyl-4-phenyl-1-cyclopenta-1,4-dienyl)methyl]-1-cyclopenta-1,3-dienyl]benzene IUPAC Name: hafnium(4+); 2-hydroxyprop-2-enoate; [2-methyl-3-[(5-methyl-4-phenylcyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,3-dien-1-yl]benzene Traditional Name: hafnium(4+); 2-hydroxyacrylate; [2-methyl-3-[(5-methyl-4-phenyl-cyclopenta-1,4-dien-1-yl)methyl]cyclopenta-1,3-dien-1-yl]benzene Formula: C31H28HfO6 MolecularWeight: 675.04042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C[C-]=C1CC2=[C-]CC(=C2C)C3=CC=CC=C3)C4=CC=CC=C4.C=C(C(=O)[O-])O.C=C(C(=O)[O-])O.[Hf+4]

Isomeric SMILES

CC1=C(C[C-]=C1CC2=[C-]CC(=C2C)C3=CC=CC=C3)C4=CC=CC=C4.C=C(C(=O)[O-])O.C=C(C(=O)[O-])O.[Hf+4]

InChI

InChI=1S/C25H22.2C3H4O3.Hf/c1-18-22(13-15-24(18)20-9-5-3-6-10-20)17-23-14-16-25(19(23)2)21-11-7-4-8-12-21;2*1-2(4)3(5)6;/h3-12H,15-17H2,1-2H3;2*4H,1H2,(H,5,6);/q-2;;;+4/p-2