benzene; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+)

Systemtic Name: benzene; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) Openeye Name: benzene; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) CAS Name: benzene; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) IUPAC Name: benzene; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) Traditional Name: benzene; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) Formula: C51H50Ti2 MolecularWeight: 758.6767

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Ti+4].[Ti+4]

Isomeric SMILES

CC1=[C-]CC=C1.CC1=[C-]CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Ti+4].[Ti+4]

InChI

InChI=1S/3C7H7.2C6H7.3C6H5.2Ti/c3*1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;;/h3*2-6H,1H2;2*2,4H,3H2,1H3;3*1-5H;;/q8*-1;2*+4