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

Systemtic Name: benzene; carbanide; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) Openeye Name: benzene; carbanide; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) CAS Name: benzene; carbanide; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) IUPAC Name: benzene; carbanide; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) Traditional Name: benzene; carbanide; methanidylbenzene; 2-methylcyclopenta-1,3-diene; titanium(4+) Formula: C60H66Ti3 MolecularWeight: 930.76704

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].CC1=[C-]CC=C1.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].[Ti+4]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].CC1=[C-]CC=C1.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].[Ti+4]

InChI

InChI=1S/3C7H7.3C6H7.3C6H5.3CH3.3Ti/c3*1-7-5-3-2-4-6-7;3*1-6-4-2-3-5-6;3*1-2-4-6-5-3-1;;;;;;/h3*2-6H,1H2;3*2,4H,3H2,1H3;3*1-5H;3*1H3;;;/q12*-1;3*+4