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

Systemtic Name: methyl 5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]-5-oxidanyl-pentanoate Openeye Name: methyl 5-hydroxy-5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]pentanoate CAS Name: 5-hydroxy-5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]pentanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]pentanoate Traditional Name: 5-hydroxy-5-[2-[(1E,3E)-5-methoxytrideca-1,3-dienyl]phenyl]valeric acid methyl ester Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O4/c1-4-5-6-7-8-9-17-23(29-2)18-12-10-15-22-16-11-13-19-24(22)25(27)20-14-21-26(28)30-3/h10-13,15-16,18-19,23,25,27H,4-9,14,17,20-21H2,1-3H3/b15-10+,18-12+