methyl 7-(4-octylphenyl)-7-oxidanyl-heptanoate

Systemtic Name: methyl 7-(4-octylphenyl)-7-oxidanyl-heptanoate Openeye Name: methyl 7-hydroxy-7-(4-octylphenyl)heptanoate CAS Name: 7-hydroxy-7-(4-octylphenyl)heptanoic acid methyl ester IUPAC Name: methyl 7-hydroxy-7-(4-octylphenyl)heptanoate Traditional Name: 7-hydroxy-7-(4-octylphenyl)enanthic acid methyl ester Formula: C22H36O3 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(CCCCCC(=O)OC)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(CCCCCC(=O)OC)O

InChI

InChI=1S/C22H36O3/c1-3-4-5-6-7-9-12-19-15-17-20(18-16-19)21(23)13-10-8-11-14-22(24)25-2/h15-18,21,23H,3-14H2,1-2H3