methyl (E)-6-[2-(1-oxidanyloct-2-ynyl)phenyl]hex-5-enoate

Systemtic Name: methyl (E)-6-[2-(1-oxidanyloct-2-ynyl)phenyl]hex-5-enoate Openeye Name: methyl (E)-6-[2-(1-hydroxyoct-2-ynyl)phenyl]hex-5-enoate CAS Name: (E)-6-[2-(1-hydroxyoct-2-ynyl)phenyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[2-(1-hydroxyoct-2-ynyl)phenyl]hex-5-enoate Traditional Name: (E)-6-[2-(1-hydroxyoct-2-ynyl)phenyl]hex-5-enoic acid methyl ester Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC(C1=CC=CC=C1C=CCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H28O3/c1-3-4-5-6-9-16-20(22)19-15-12-11-14-18(19)13-8-7-10-17-21(23)24-2/h8,11-15,20,22H,3-7,10,17H2,1-2H3/b13-8+