ethynylbenzene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylazanide; titanium

Systemtic Name: ethynylbenzene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylazanide; titanium Openeye Name: ethynylbenzene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylazanide; titanium CAS Name: ethynylbenzene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylazanide; titanium IUPAC Name: ethynylbenzene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylazanide; titanium Traditional Name: ethynylbenzene; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylazanide; titanium Formula: C34H41NTi-4 MolecularWeight: 511.56304

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)[NH-].[Ti]

Isomeric SMILES

C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[C-]#CC1=CC=CC=C1.C1=CC=C(C=C1)[NH-].[Ti]

InChI

InChI=1S/2C10H15.C8H5.C6H6N.Ti/c2*1-6-7(2)9(4)10(5)8(6)3;1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6;/h2*1-5H3;3-7H;1-5,7H;/q4*-1;