2-tert-butyl-4-methyl-phenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium; dichloride; hydrate

Systemtic Name: 2-tert-butyl-4-methyl-phenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium; dichloride; hydrate Openeye Name: 2-tert-butyl-4-methyl-phenol; isopropylidenetitanium; 2-methylcyclopenta-1,3-diene; dichloride; hydrate CAS Name: 2-tert-butyl-4-methylphenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium; dichloride; hydrate IUPAC Name: 2-tert-butyl-4-methylphenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium; dichloride; hydrate Traditional Name: 2-tert-butyl-4-methyl-phenol; isopropylidenetitanium; 2-methylcyclopenta-1,3-diene; dichloride; hydrate Formula: C40H60Cl2O3Ti2-4 MolecularWeight: 755.5426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H16O.2C6H7.2C3H6.2ClH.H2O.2Ti/c2*1-8-5-6-10(12)9(7-8)11(2,3)4;2*1-6-4-2-3-5-6;2*1-3-2;;;;;/h2*5-7,12H,1-4H3;2*2,4H,3H2,1H3;2*1-2H3;2*1H;1H2;;/q;;2*-1;;;;;;;/p-2