cyclopentane; 2-methylbut-3-en-1-ol; (phenylmethyl) pent-4-enoate; zirconium; perchlorate

Systemtic Name: cyclopentane; 2-methylbut-3-en-1-ol; (phenylmethyl) pent-4-enoate; zirconium; perchlorate Openeye Name: benzyl pent-4-enoate; cyclopentane; 2-methylbut-3-en-1-ol; zirconium; perchlorate CAS Name: cyclopentane; 2-methyl-3-buten-1-ol; 4-pentenoic acid (phenylmethyl) ester; zirconium; perchlorate IUPAC Name: benzyl pent-4-enoate; cyclopentane; 2-methylbut-3-en-1-ol; zirconium; perchlorate Traditional Name: cyclopentane; 2-methylbut-3-en-1-ol; pent-4-enoic acid benzyl ester; zirconium; perchlorate Formula: C27H32ClO7Zr- MolecularWeight: 595.21578

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Descriptors Computed from Structure

Canonical SMILES:

C[C+](CO)C=C.[CH-]=CCCC(=O)OCC1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[O-]Cl(=O)(=O)=O.[Zr]

Isomeric SMILES

C[C+](CO)C=C.[CH-]=CCCC(=O)OCC1=CC=CC=C1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[O-]Cl(=O)(=O)=O.[Zr]

InChI

InChI=1S/C12H13O2.C5H9O.2C5H5.ClHO4.Zr/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11;1-3-5(2)4-6;2*1-2-4-5-3-1;2-1(3,4)5;/h1-2,4-8H,3,9-10H2;3,6H,1,4H2,2H3;2*1-5H;(H,2,3,4,5);/q-1;+1;;;;/p-1