6-[[3-[(E)-3-oxidanylundec-5-en-1-ynyl]phenyl]methyl]oxan-2-one

Systemtic Name: 6-[[3-[(E)-3-oxidanylundec-5-en-1-ynyl]phenyl]methyl]oxan-2-one Openeye Name: 6-[[3-[(E)-3-hydroxyundec-5-en-1-ynyl]phenyl]methyl]tetrahydropyran-2-one CAS Name: 6-[[3-[(E)-3-hydroxyundec-5-en-1-ynyl]phenyl]methyl]-2-oxanone IUPAC Name: 6-[[3-[(E)-3-hydroxyundec-5-en-1-ynyl]phenyl]methyl]oxan-2-one Traditional Name: 6-[3-[(E)-3-hydroxyundec-5-en-1-ynyl]benzyl]tetrahydropyran-2-one Formula: C23H30O3 MolecularWeight: 354.4825

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C#CC1=CC(=CC=C1)CC2CCCC(=O)O2)O

Isomeric SMILES

CCCCC/C=C/CC(C#CC1=CC(=CC=C1)CC2CCCC(=O)O2)O

InChI

InChI=1S/C23H30O3/c1-2-3-4-5-6-7-12-21(24)16-15-19-10-8-11-20(17-19)18-22-13-9-14-23(25)26-22/h6-8,10-11,17,21-22,24H,2-5,9,12-14,18H2,1H3/b7-6+