methyl (E)-6-[3-(1-oxidanylnon-3-ynyl)phenyl]hex-5-enoate

Systemtic Name: methyl (E)-6-[3-(1-oxidanylnon-3-ynyl)phenyl]hex-5-enoate Openeye Name: methyl (E)-6-[3-(1-hydroxynon-3-ynyl)phenyl]hex-5-enoate CAS Name: (E)-6-[3-(1-hydroxynon-3-ynyl)phenyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[3-(1-hydroxynon-3-ynyl)phenyl]hex-5-enoate Traditional Name: (E)-6-[3-(1-hydroxynon-3-ynyl)phenyl]hex-5-enoic acid methyl ester Formula: C22H30O3 MolecularWeight: 342.4718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC(C1=CC=CC(=C1)C=CCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30O3/c1-3-4-5-6-7-10-16-21(23)20-15-12-14-19(18-20)13-9-8-11-17-22(24)25-2/h9,12-15,18,21,23H,3-6,8,11,16-17H2,1-2H3/b13-9+