methyl 5-oxidanyl-5-[2-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]phenyl]pentanoate

Systemtic Name: methyl 5-oxidanyl-5-[2-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]phenyl]pentanoate Openeye Name: methyl 5-hydroxy-5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]pentanoate CAS Name: 5-hydroxy-5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]pentanoate Traditional Name: 5-hydroxy-5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]valeric acid methyl ester Formula: C25H38O4 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=CC=C1C(CCCC(=O)OC)O)O

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=CC=C1C(CCCC(=O)OC)O)O

InChI

InChI=1S/C25H38O4/c1-3-4-5-6-7-8-16-22(26)17-11-9-14-21-15-10-12-18-23(21)24(27)19-13-20-25(28)29-2/h9-12,14-15,17-18,22,24,26-27H,3-8,13,16,19-20H2,1-2H3/b14-9+,17-11+