[8-methyl-1,3-bis(oxidanylidene)-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]methyl tris[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] silicate

Systemtic Name: [8-methyl-1,3-bis(oxidanylidene)-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]methyl tris[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] silicate Openeye Name: tris[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (8-methyl-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-5-yl)methyl silicate CAS Name: (8-methyl-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-5-yl)methyl tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] silicate IUPAC Name: (8-methyl-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-5-yl)methyl tris[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] silicate Traditional Name: (1,3-diketo-8-methyl-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-5-yl)methyl tris[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] orthosilicate Formula: C44H71N3O6Si MolecularWeight: 766.13654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)O[Si](OCC2C=CC(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C)(OC5CC(CCC5C(C)C)C)OC6CC(CCC6C(C)C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[Si](OCC2C=CC(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C)(O[C@@H]5C[C@@H](CC[C@H]5C(C)C)C)O[C@@H]6C[C@@H](CC[C@H]6C(C)C)C)C(C)C

InChI

InChI=1S/C44H71N3O6Si/c1-28(2)37-21-16-31(7)24-40(37)51-54(52-41-25-32(8)17-22-38(41)29(3)4,53-42-26-33(9)18-23-39(42)30(5)6)50-27-36-20-19-34(10)46-43(48)45(44(49)47(36)46)35-14-12-11-13-15-35/h11-15,19-20,28-34,36-42H,16-18,21-27H2,1-10H3/t31-,32-,33-,34?,36?,37+,38+,39+,40-,41-,42-/m1/s1