methyl (E)-8-(2-heptan-2-ylphenyl)-5,6-bis(oxidanyl)oct-7-enoate; yttrium

Systemtic Name: methyl (E)-8-(2-heptan-2-ylphenyl)-5,6-bis(oxidanyl)oct-7-enoate; yttrium Openeye Name: methyl (E)-5,6-dihydroxy-8-[2-(1-methylhexyl)phenyl]oct-7-enoate; yttrium CAS Name: (E)-8-(2-heptan-2-ylphenyl)-5,6-dihydroxy-7-octenoic acid methyl ester; yttrium IUPAC Name: methyl (E)-8-(2-heptan-2-ylphenyl)-5,6-dihydroxyoct-7-enoate; yttrium Traditional Name: (E)-5,6-dihydroxy-8-[2-(1-methylhexyl)phenyl]oct-7-enoic acid methyl ester; yttrium Formula: C22H33O4Y2- MolecularWeight: 539.30672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[C-](C)C1=CC=CC=C1C=CC(C(CCCC(=O)OC)O)O.[Y].[Y]

Isomeric SMILES

CCCCC[C-](C)C1=CC=CC=C1/C=C/C(C(CCCC(=O)OC)O)O.[Y].[Y]

InChI

InChI=1S/C22H33O4.2Y/c1-4-5-6-10-17(2)19-12-8-7-11-18(19)15-16-21(24)20(23)13-9-14-22(25)26-3;;/h7-8,11-12,15-16,20-21,23-24H,4-6,9-10,13-14H2,1-3H3;;/q-1;;/b16-15+;;