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

Systemtic Name: 2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; diphenylazanide; methane; titanium(2+) Openeye Name: 2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; diphenylazanide; methane; titanium(2+) CAS Name: 2,3-dimethyl-4-(3-methyl-1-cyclopenta-1,3-dienyl)phenol; diphenylazanide; methane; titanium(2+) IUPAC Name: 2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; diphenylazanide; methane; titanium(2+) Traditional Name: 2,3-dimethyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; diphenylazanide; methane; titanium(2+) Formula: C39H40N2OTi MolecularWeight: 600.6147

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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)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+2]

Isomeric SMILES

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

InChI

InChI=1S/C14H16O.2C12H10N.CH4.Ti/c1-9-4-5-12(8-9)13-6-7-14(15)11(3)10(13)2;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h4,6-8,15H,5H2,1-3H3;2*1-10H;1H4;/q;2*-1;;+2