cyclopentane; tritert-butyl 3-[(2-methylpropan-2-yl)oxy]-3-oxidanyl-pent-1-en-4-yne-1,2,5-tricarboxylate; zirconium

Systemtic Name: cyclopentane; tritert-butyl 3-[(2-methylpropan-2-yl)oxy]-3-oxidanyl-pent-1-en-4-yne-1,2,5-tricarboxylate; zirconium Openeye Name: cyclopentane; tritert-butyl 3-tert-butoxy-3-hydroxy-pent-1-en-4-yne-1,2,5-tricarboxylate; zirconium CAS Name: cyclopentane; 3-hydroxy-3-[(2-methylpropan-2-yl)oxy]pent-1-en-4-yne-1,2,5-tricarboxylic acid tritert-butyl ester; zirconium IUPAC Name: cyclopentane; tritert-butyl 3-hydroxy-3-[(2-methylpropan-2-yl)oxy]pent-1-en-4-yne-1,2,5-tricarboxylate; zirconium Traditional Name: 3-tert-butoxy-3-hydroxy-pent-1-en-4-yne-1,2,5-tricarboxylic acid tritert-butyl ester; cyclopentane; zirconium Formula: C34H47O8Zr- MolecularWeight: 674.95618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[C-]=C(C(=O)OC(C)(C)C)C(C#CC(=O)OC(C)(C)C)(O)OC(C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr]

Isomeric SMILES

CC(C)(C)OC(=O)[C-]=C(C(=O)OC(C)(C)C)C(C#CC(=O)OC(C)(C)C)(O)OC(C)(C)C.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr]

InChI

InChI=1S/C24H37O8.2C5H5.Zr/c1-20(2,3)29-17(25)13-14-24(28,32-23(10,11)12)16(19(27)31-22(7,8)9)15-18(26)30-21(4,5)6;2*1-2-4-5-3-1;/h28H,1-12H3;2*1-5H;/q-1;;;