cyclopentane; (phenylmethyl) pent-4-enoate; zirconium(2+); perchlorate

Systemtic Name: cyclopentane; (phenylmethyl) pent-4-enoate; zirconium(2+); perchlorate Openeye Name: benzyl pent-4-enoate; cyclopentane; zirconium(2+); perchlorate CAS Name: cyclopentane; 4-pentenoic acid (phenylmethyl) ester; zirconium(2+); perchlorate IUPAC Name: benzyl pent-4-enoate; cyclopentane; zirconium(2+); perchlorate Traditional Name: cyclopentane; pent-4-enoic acid benzyl ester; zirconium(2+); perchlorate Formula: C22H23ClO6Zr MolecularWeight: 510.09142

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Descriptors Computed from Structure

Canonical SMILES:

[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+2]

Isomeric SMILES

[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+2]

InChI

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