cyclopenta-1,4-dien-1-ylbenzene; phenol; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: cyclopenta-1,4-dien-1-ylbenzene; phenol; propan-2-ylidenetitanium(1+); dichloride Openeye Name: cyclopenta-1,4-dien-1-ylbenzene; isopropylidenetitanium(1+); phenol; dichloride CAS Name: 1-cyclopenta-1,4-dienylbenzene; phenol; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: cyclopenta-1,4-dien-1-ylbenzene; phenol; propan-2-ylidenetitanium(1+); dichloride Traditional Name: cyclopenta-1,4-dien-1-ylbenzene; isopropylidenetitanium(1+); phenol; dichloride Formula: C20H21Cl2OTi-2 MolecularWeight: 396.15314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Ti+])C.C1C=CC(=[C-]1)C2=CC=CC=C2.C1=CC=C(C=C1)O.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Ti+])C.C1C=CC(=[C-]1)C2=CC=CC=C2.C1=CC=C(C=C1)O.[Cl-].[Cl-]

InChI

InChI=1S/C11H9.C6H6O.C3H6.2ClH.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-11;7-6-4-2-1-3-5-6;1-3-2;;;/h1-4,6-8H,5H2;1-5,7H;1-2H3;2*1H;/q-1;;;;;+1/p-2