2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide

Systemtic Name: 2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide Openeye Name: 2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide CAS Name: 2,3-dimethyl-4-(3-methyl-1-cyclopenta-1,3-dienyl)phenol; methane; titanium(2+); diphenoxide IUPAC Name: 2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide Traditional Name: 2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide Formula: C27H30O3Ti MolecularWeight: 450.3923

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=CCC(=C1)C2=C(C(=C(C=C2)O)C)C.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

Isomeric SMILES

C.CC1=CCC(=C1)C2=C(C(=C(C=C2)O)C)C.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

InChI

InChI=1S/C14H16O.2C6H6O.CH4.Ti/c1-9-4-5-12(8-9)13-6-7-14(15)11(3)10(13)2;2*7-6-4-2-1-3-5-6;;/h4,6-8,15H,5H2,1-3H3;2*1-5,7H;1H4;/q;;;;+2/p-2