1H-inden-1-ide; 2-methylpropan-2-olate; [(2E,4E)-6-phenylhexa-2,4-dienyl]benzene; titanium(4+)

Systemtic Name: 1H-inden-1-ide; 2-methylpropan-2-olate; [(2E,4E)-6-phenylhexa-2,4-dienyl]benzene; titanium(4+) Openeye Name: 1H-inden-1-ide; 2-methylpropan-2-olate; [(2E,4E)-6-phenylhexa-2,4-dienyl]benzene; titanium(4+) CAS Name: 1H-inden-1-ide; 2-methyl-2-propanolate; [(2E,4E)-6-phenylhexa-2,4-dienyl]benzene; titanium(4+) IUPAC Name: 1H-inden-1-ide; 2-methylpropan-2-olate; [(2E,4E)-6-phenylhexa-2,4-dienyl]benzene; titanium(4+) Traditional Name: 1H-inden-1-ide; 2-methylpropan-2-olate; [(2E,4E)-6-phenylhexa-2,4-dienyl]benzene; titanium(4+) Formula: C39H52O3Ti MolecularWeight: 616.69538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)CC=CC=CCC2=CC=CC=C2.[Ti+4]

Isomeric SMILES

CC([O-])(C)C.CC([O-])(C)C.CC([O-])(C)C.[CH-]1C2=CC=CC=C2C=C1.C1=CC=C(C=C1)C/C=C/C=C/CC2=CC=CC=C2.[Ti+4]

InChI

InChI=1S/C18H18.C9H7.3C4H9O.Ti/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;1-2-5-9-7-3-6-8(9)4-1;3*1-4(2,3)5;/h1-10,13-16H,11-12H2;1-7H;3*1-3H3;/q;4*-1;+4/b5-1+,6-2+;;;;;