3-tert-butyl-5-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+)

Systemtic Name: 3-tert-butyl-5-chloranyl-phenol; 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) Openeye Name: 3-tert-butyl-5-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; isopropylidenetitanium(1+) CAS Name: 3-tert-butyl-5-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) IUPAC Name: 3-tert-butyl-5-chlorophenol; 2-tert-butylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) Traditional Name: 3-tert-butyl-5-chloro-phenol; 2-tert-butylcyclopenta-1,3-diene; isopropylidenetitanium(1+) Formula: C22H32ClOTi MolecularWeight: 395.80888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClO.C9H13.C3H6.Ti/c1-10(2,3)7-4-8(11)6-9(12)5-7;1-9(2,3)8-6-4-5-7-8;1-3-2;/h4-6,12H,1-3H3;4,6H,5H2,1-3H3;1-2H3;/q;-1;;+1