cyclopenta-1,3-diene; 2,7-diphenyl-1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 2,7-diphenyl-1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 2,7-diphenyl-1,9-dihydrofluoren-1-ide; isopropylidenetitanium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 2,7-diphenyl-1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 2,7-diphenyl-1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 2,7-diphenyl-1,9-dihydrofluoren-1-ide; isopropylidenetitanium(2+); dichloride Formula: C66H56Cl2Ti2-2 MolecularWeight: 1015.79084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti+2])C.CC(=[Ti+2])C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1[C-]=C(C=C4)C5=CC=CC=C5.C1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1[C-]=C(C=C4)C5=CC=CC=C5.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Ti+2])C.CC(=[Ti+2])C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1[C-]=C(C=C4)C5=CC=CC=C5.C1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1[C-]=C(C=C4)C5=CC=CC=C5.[Cl-].[Cl-]

InChI

InChI=1S/2C25H17.2C5H5.2C3H6.2ClH.2Ti/c2*1-3-7-18(8-4-1)20-11-13-24-22(15-20)17-23-16-21(12-14-25(23)24)19-9-5-2-6-10-19;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*1-15H,17H2;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2