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

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

Systemtic Name:methyl (E)-8-(2-heptan-2-ylphenyl)-5,6-bis(oxidanyl)oct-7-enoate
Openeye Name:methyl (E)-5,6-dihydroxy-8-[2-(1-methylhexyl)phenyl]oct-7-enoate
CAS Name:(E)-8-(2-heptan-2-ylphenyl)-5,6-dihydroxy-7-octenoic acid methyl ester
IUPAC Name:methyl (E)-8-(2-heptan-2-ylphenyl)-5,6-dihydroxyoct-7-enoate
Traditional Name:(E)-5,6-dihydroxy-8-[2-(1-methylhexyl)phenyl]oct-7-enoic acid methyl ester
Formula: C22H34O4
MolecularWeight: 362.50296
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC=C1C=CC(C(CCCC(=O)OC)O)O


Isomeric SMILES

CCCCCC(C)C1=CC=CC=C1/C=C/C(C(CCCC(=O)OC)O)O


InChI

InChI=1S/C22H34O4/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/h7-8,11-12,15-17,20-21,23-24H,4-6,9-10,13-14H2,1-3H3/b16-15+


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