methyl (E)-8-oxidanyl-9-(4-pentylphenoxy)non-5-enoate

Systemtic Name: methyl (E)-8-oxidanyl-9-(4-pentylphenoxy)non-5-enoate Openeye Name: methyl (E)-8-hydroxy-9-(4-pentylphenoxy)non-5-enoate CAS Name: (E)-8-hydroxy-9-(4-pentylphenoxy)-5-nonenoic acid methyl ester IUPAC Name: methyl (E)-8-hydroxy-9-(4-pentylphenoxy)non-5-enoate Traditional Name: (E)-9-(4-amylphenoxy)-8-hydroxy-non-5-enoic acid methyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCC(CC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCC(C/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C21H32O4/c1-3-4-7-10-18-13-15-20(16-14-18)25-17-19(22)11-8-5-6-9-12-21(23)24-2/h5,8,13-16,19,22H,3-4,6-7,9-12,17H2,1-2H3/b8-5+