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

Systemtic Name: 3-tert-butyl-5-methyl-phenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) Openeye Name: 3-tert-butyl-5-methyl-phenol; isopropylidenetitanium(1+); 2-methylcyclopenta-1,3-diene CAS Name: 3-tert-butyl-5-methylphenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) IUPAC Name: 3-tert-butyl-5-methylphenol; 2-methylcyclopenta-1,3-diene; propan-2-ylidenetitanium(1+) Traditional Name: 3-tert-butyl-5-methyl-phenol; isopropylidenetitanium(1+); 2-methylcyclopenta-1,3-diene Formula: C20H29OTi MolecularWeight: 333.31066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C6H7.C3H6.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-6-4-2-3-5-6;1-3-2;/h5-7,12H,1-4H3;2,4H,3H2,1H3;1-2H3;/q;-1;;+1