3-methyl-6-[3-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]phenyl]oxan-2-one

Systemtic Name: 3-methyl-6-[3-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]phenyl]oxan-2-one Openeye Name: 6-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-3-methyl-tetrahydropyran-2-one CAS Name: 6-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-3-methyl-2-oxanone IUPAC Name: 6-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-3-methyloxan-2-one Traditional Name: 6-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-3-methyl-tetrahydropyran-2-one Formula: C23H32O3 MolecularWeight: 356.49838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC1=CC(=CC=C1)C2CCC(C(=O)O2)C)O

Isomeric SMILES

CCCCC/C=C/CC(/C=C/C1=CC(=CC=C1)C2CCC(C(=O)O2)C)O

InChI

InChI=1S/C23H32O3/c1-3-4-5-6-7-8-12-21(24)15-14-19-10-9-11-20(17-19)22-16-13-18(2)23(25)26-22/h7-11,14-15,17-18,21-22,24H,3-6,12-13,16H2,1-2H3/b8-7+,15-14+