carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; propane; titanium(4+)

Systemtic Name: carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; propane; titanium(4+) Openeye Name: carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; propane; titanium(4+) CAS Name: carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; propane; titanium(4+) IUPAC Name: carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; propane; titanium(4+) Traditional Name: carbanide; cyclopenta-1,3-diene; 2-methylcyclopenta-1,3-diene; propane; titanium(4+) Formula: C42H60Ti3 MolecularWeight: 708.5268

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].[CH3-].C[CH-]C.C[CH-]C.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4].[Ti+4].[Ti+4]

Isomeric SMILES

[CH3-].[CH3-].[CH3-].[CH3-].C[CH-]C.C[CH-]C.CC1=[C-]CC=C1.CC1=[C-]CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4].[Ti+4].[Ti+4]

InChI

InChI=1S/2C6H7.4C5H5.2C3H7.4CH3.3Ti/c2*1-6-4-2-3-5-6;4*1-2-4-5-3-1;2*1-3-2;;;;;;;/h2*2,4H,3H2,1H3;4*1-3H,4H2;2*3H,1-2H3;4*1H3;;;/q12*-1;3*+4