methyl 6-(2-nonylphenyl)-6-oxidanyl-hexanoate

Systemtic Name: methyl 6-(2-nonylphenyl)-6-oxidanyl-hexanoate Openeye Name: methyl 6-hydroxy-6-(2-nonylphenyl)hexanoate CAS Name: 6-hydroxy-6-(2-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-hydroxy-6-(2-nonylphenyl)hexanoate Traditional Name: 6-hydroxy-6-(2-nonylphenyl)hexanoic acid methyl ester Formula: C22H36O3 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1C(CCCCC(=O)OC)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1C(CCCCC(=O)OC)O

InChI

InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-14-19-15-10-11-16-20(19)21(23)17-12-13-18-22(24)25-2/h10-11,15-16,21,23H,3-9,12-14,17-18H2,1-2H3