cyclopentane; (phenylmethyl) (4E)-7-methyl-6-oxidanyl-nona-4,8-dienoate; zirconium; perchlorate

Systemtic Name: cyclopentane; (phenylmethyl) (4E)-7-methyl-6-oxidanyl-nona-4,8-dienoate; zirconium; perchlorate Openeye Name: benzyl (4E)-6-hydroxy-7-methyl-nona-4,8-dienoate; cyclopentane; zirconium; perchlorate CAS Name: cyclopentane; (4E)-6-hydroxy-7-methylnona-4,8-dienoic acid (phenylmethyl) ester; zirconium; perchlorate IUPAC Name: benzyl (4E)-6-hydroxy-7-methylnona-4,8-dienoate; cyclopentane; zirconium; perchlorate Traditional Name: cyclopentane; (4E)-6-hydroxy-7-methyl-nona-4,8-dienoic acid benzyl ester; zirconium; perchlorate Formula: C27H32ClO7Zr- MolecularWeight: 595.21578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C=C)C(/C=C/CCC(=O)OCC1=CC=CC=C1)O.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[O-]Cl(=O)(=O)=O.[Zr]

InChI

InChI=1S/C17H22O3.2C5H5.ClHO4.Zr/c1-3-14(2)16(18)11-7-8-12-17(19)20-13-15-9-5-4-6-10-15;2*1-2-4-5-3-1;2-1(3,4)5;/h3-7,9-11,14,16,18H,1,8,12-13H2,2H3;2*1-5H;(H,2,3,4,5);/p-1/b11-7+;;;;