2-methylcyclopenta-1,3-diene; 3-phenylphenol; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: 2-methylcyclopenta-1,3-diene; 3-phenylphenol; propan-2-ylidenetitanium(1+); dichloride Openeye Name: isopropylidenetitanium(1+); 2-methylcyclopenta-1,3-diene; 3-phenylphenol; dichloride CAS Name: 2-methylcyclopenta-1,3-diene; 3-phenylphenol; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 2-methylcyclopenta-1,3-diene; 3-phenylphenol; propan-2-ylidenetitanium(1+); dichloride Traditional Name: isopropylidenetitanium(1+); 2-methylcyclopenta-1,3-diene; 3-phenylphenol; dichloride Formula: C21H23Cl2OTi-2 MolecularWeight: 410.17972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC(=[Ti+])C.C1=CC=C(C=C1)C2=CC(=CC=C2)O.[Cl-].[Cl-]

Isomeric SMILES

CC1=[C-]CC=C1.CC(=[Ti+])C.C1=CC=C(C=C1)C2=CC(=CC=C2)O.[Cl-].[Cl-]

InChI

InChI=1S/C12H10O.C6H7.C3H6.2ClH.Ti/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-6-4-2-3-5-6;1-3-2;;;/h1-9,13H;2,4H,3H2,1H3;1-2H3;2*1H;/q;-1;;;;+1/p-2