[2,2-dimethyl-5-[oxidanidyl(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenyl-methanolate; oxygen(2-); propan-2-olate; titanium(4+)

Systemtic Name: [2,2-dimethyl-5-[oxidanidyl(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenyl-methanolate; oxygen(2-); propan-2-olate; titanium(4+) Openeye Name: [2,2-dimethyl-5-[oxido(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenyl-methanolate; oxygen(2-); propan-2-olate; titanium(4+) CAS Name: [2,2-dimethyl-5-[oxido(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanolate; oxygen(2-); 2-propanolate; titanium(4+) IUPAC Name: [2,2-dimethyl-5-[oxido(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanolate; oxygen(2-); propan-2-olate; titanium(4+) Traditional Name: [2,2-dimethyl-5-[oxido(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenyl-methanolate; oxygen(2-); propan-2-olate; titanium(4+) Formula: C68H70O11Ti2 MolecularWeight: 1159.0108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[O-].CC(C)[O-].CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-])C.CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-])C.[O-2].[Ti+4].[Ti+4]

Isomeric SMILES

CC(C)[O-].CC(C)[O-].CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-])C.CC1(OC(C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)[O-])C(C4=CC=CC=C4)(C5=CC=CC=C5)[O-])C.[O-2].[Ti+4].[Ti+4]

InChI

InChI=1S/2C31H28O4.2C3H7O.O.2Ti/c2*1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;2*1-3(2)4;;;/h2*3-22,27-28H,1-2H3;2*3H,1-2H3;;;/q2*-2;2*-1;-2;2*+4