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

Systemtic Name: benzene; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; phenol; titanium(2+) Openeye Name: benzene; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; phenol; titanium(2+) CAS Name: benzene; diphenylazanide; methane; (3-methyl-1-cyclopenta-1,3-dienyl)benzene; phenol; titanium(2+) IUPAC Name: benzene; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; phenol; titanium(2+) Traditional Name: benzene; diphenylazanide; methane; (3-methylcyclopenta-1,3-dien-1-yl)benzene; phenol; titanium(2+) Formula: C49H46N2OTi-2 MolecularWeight: 726.76934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H10N.C12H11.C6H6O.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;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;;/h2*1-10H;2-3,5-7,9H,8H2,1H3;1-5,7H;1-5H;1H4;/q3*-1;;-1;;+2