cyclohexa-1,4-diene; cyclopentane; [(4R,5R)-2,2-dimethyl-5-[oxidanyl(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenyl-methanol; titanium(2+)

Systemtic Name: cyclohexa-1,4-diene; cyclopentane; [(4R,5R)-2,2-dimethyl-5-[oxidanyl(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenyl-methanol; titanium(2+) Openeye Name: cyclohexa-1,4-diene; cyclopentane; [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenyl-methanol; titanium(2+) CAS Name: cyclohexa-1,4-diene; cyclopentane; [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol; titanium(2+) IUPAC Name: cyclohexa-1,4-diene; cyclopentane; [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol; titanium(2+) Traditional Name: cyclohexa-1,4-diene; cyclopentane; [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenyl-methanol; titanium(2+) Formula: C42H47O4Ti+ MolecularWeight: 663.68718

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Descriptors Computed from Structure

Canonical SMILES:

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.C1CCCC1.C1C=C[CH-]C=C1.[Ti+2]

Isomeric SMILES

CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C.C1CCCC1.C1C=C[CH-]C=C1.[Ti+2]

InChI

InChI=1S/C31H30O4.C6H7.C5H10.Ti/c1-29(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;1-2-4-6-5-3-1;1-2-4-5-3-1;/h3-22,27-28,32-33H,1-2H3;1-5H,6H2;1-5H2;/q;-1;;+2/t27-,28-;;;/m1.../s1