methyl 2-(4-nonylphenyl)-6-oxidanyl-hexanoate

Systemtic Name: methyl 2-(4-nonylphenyl)-6-oxidanyl-hexanoate Openeye Name: methyl 6-hydroxy-2-(4-nonylphenyl)hexanoate CAS Name: 6-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-hydroxy-2-(4-nonylphenyl)hexanoate Traditional Name: 6-hydroxy-2-(4-nonylphenyl)hexanoic acid methyl ester Formula: C22H36O3 MolecularWeight: 348.51944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(CCCCO)C(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(CCCCO)C(=O)OC

InChI

InChI=1S/C22H36O3/c1-3-4-5-6-7-8-9-12-19-14-16-20(17-15-19)21(22(24)25-2)13-10-11-18-23/h14-17,21,23H,3-13,18H2,1-2H3