benzene; 2-tert-butyl-4-methyl-phenol; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium(2+)

Systemtic Name: benzene; 2-tert-butyl-4-methyl-phenol; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium(2+) Openeye Name: benzene; 2-tert-butyl-4-methyl-phenol; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium(2+) CAS Name: benzene; 2-tert-butyl-4-methylphenol; diphenylazanide; methane; (3-methyl-1-cyclopenta-1,3-dienyl)benzene; titanium(2+) IUPAC Name: benzene; 2-tert-butyl-4-methylphenol; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium(2+) Traditional Name: benzene; 2-tert-butyl-4-methyl-phenol; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; titanium(2+) Formula: C54H56N2OTi-2 MolecularWeight: 796.90224

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=CCC(=C1)C2=C[C-]=CC=C2.CC1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=[C-]C=C1.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-]=CC=C2.CC1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=[C-]C=C1.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/2C12H10N.C12H11.C11H16O.C6H5.CH4.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10-7-8-12(9-10)11-5-3-2-4-6-11;1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-4-6-5-3-1;;/h2*1-10H;2-3,5-7,9H,8H2,1H3;5-7,12H,1-4H3;1-5H;1H4;/q3*-1;;-1;;+2