3-tert-butyl-5-methyl-phenol; 1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(1+); dichloride

Systemtic Name: 3-tert-butyl-5-methyl-phenol; 1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(1+); dichloride Openeye Name: 3-tert-butyl-5-methyl-phenol; 1,9-dihydrofluoren-1-ide; isopropylidenetitanium(1+); dichloride CAS Name: 3-tert-butyl-5-methylphenol; 1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(1+); dichloride IUPAC Name: 3-tert-butyl-5-methylphenol; 1,9-dihydrofluoren-1-ide; propan-2-ylidenetitanium(1+); dichloride Traditional Name: 3-tert-butyl-5-methyl-phenol; 1,9-dihydrofluoren-1-ide; isopropylidenetitanium(1+); dichloride Formula: C27H31Cl2OTi-2 MolecularWeight: 490.30744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)O)C(C)(C)C.CC(=[Ti+])C.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1)O)C(C)(C)C.CC(=[Ti+])C.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C11H16O.C3H6.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-5-9(11(2,3)4)7-10(12)6-8;1-3-2;;;/h1-5,7-8H,9H2;5-7,12H,1-4H3;1-2H3;2*1H;/q-1;;;;;+1/p-2