4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane; titanium(2+); difluoride

Systemtic Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane; titanium(2+); difluoride Openeye Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl(o-tolyl)phosphane; titanium(2+); difluoride CAS Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl-(2-methylphenyl)phosphine; titanium(2+); difluoride IUPAC Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl-(2-methylphenyl)phosphane; titanium(2+); difluoride Traditional Name: 4,7-dimethyl-1H-inden-1-ide; 1H-inden-1-id-2-yl(o-tolyl)phosphine; titanium(2+); difluoride Formula: C54H50F2P2Ti2-2 MolecularWeight: 894.653128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=CC=CC=C1PC2=CC3=CC=CC=C3[CH-]2.CC1=CC=CC=C1PC2=CC3=CC=CC=C3[CH-]2.[F-].[F-].[Ti+2].[Ti+2]

Isomeric SMILES

CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=C2[CH-]C=CC2=C(C=C1)C.CC1=CC=CC=C1PC2=CC3=CC=CC=C3[CH-]2.CC1=CC=CC=C1PC2=CC3=CC=CC=C3[CH-]2.[F-].[F-].[Ti+2].[Ti+2]

InChI

InChI=1S/2C16H14P.2C11H11.2FH.2Ti/c2*1-12-6-2-5-9-16(12)17-15-10-13-7-3-4-8-14(13)11-15;2*1-8-6-7-9(2)11-5-3-4-10(8)11;;;;/h2*2-11,17H,1H3;2*3-7H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2