3-tert-butyl-5-methoxy-phenol; (diphenylmethylidene)titanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene

Systemtic Name: 3-tert-butyl-5-methoxy-phenol; (diphenylmethylidene)titanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene Openeye Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methoxy-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene CAS Name: 3-tert-butyl-5-methoxyphenol; (diphenylmethylene)titanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene IUPAC Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methoxyphenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene Traditional Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methoxy-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene Formula: C33H39O2Ti MolecularWeight: 515.52856

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=C(C(=C1C)C)C.CC(C)(C)C1=CC(=CC(=C1)OC)O.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2

Isomeric SMILES

CC1[C-]=C(C(=C1C)C)C.CC(C)(C)C1=CC(=CC(=C1)OC)O.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2

InChI

InChI=1S/C13H10.C11H16O2.C9H13.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-6-5-7(2)9(4)8(6)3;/h1-10H;5-7,12H,1-4H3;6H,1-4H3;/q;;-1;+1