benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; methane; phenol; titanium(2+); diphenoxide

Systemtic Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; methane; phenol; titanium(2+); diphenoxide Openeye Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; methane; phenol; titanium(2+); diphenoxide CAS Name: benzene; (3-tert-butyl-1-cyclopenta-1,3-dienyl)benzene; methane; phenol; titanium(2+); diphenoxide IUPAC Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; methane; phenol; titanium(2+); diphenoxide Traditional Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; methane; phenol; titanium(2+); diphenoxide Formula: C40H42O3Ti-2 MolecularWeight: 618.62668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17.3C6H6O.C6H5.CH4.Ti/c1-15(2,3)14-10-9-13(11-14)12-7-5-4-6-8-12;3*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;;/h4-5,7-8,10-11H,9H2,1-3H3;3*1-5,7H;1-5H;1H4;/q-1;;;;-1;;+2/p-2