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

Systemtic Name: 3-tert-butyl-5-methyl-phenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene Openeye Name: 3-tert-butyl-5-methyl-phenol; isopropylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene CAS Name: 3-tert-butyl-5-methylphenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene IUPAC Name: 3-tert-butyl-5-methylphenol; propan-2-ylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene Traditional Name: 3-tert-butyl-5-methyl-phenol; isopropylidenetitanium(1+); 1,2,3,5-tetramethylcyclopenta-1,3-diene Formula: C23H35OTi MolecularWeight: 375.3904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C9H13.C3H6.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-6-5-7(2)9(4)8(6)3;1-3-2;/h5-7,12H,1-4H3;6H,1-4H3;1-2H3;/q;-1;;+1