methyl (E)-6-[3-[oxidanyl-(4-pentylphenyl)methyl]phenyl]hex-5-enoate

Systemtic Name: methyl (E)-6-[3-[oxidanyl-(4-pentylphenyl)methyl]phenyl]hex-5-enoate Openeye Name: methyl (E)-6-[3-[hydroxy-(4-pentylphenyl)methyl]phenyl]hex-5-enoate CAS Name: (E)-6-[3-[hydroxy-(4-pentylphenyl)methyl]phenyl]-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[3-[hydroxy-(4-pentylphenyl)methyl]phenyl]hex-5-enoate Traditional Name: (E)-6-[3-[(4-amylphenyl)-hydroxy-methyl]phenyl]hex-5-enoic acid methyl ester Formula: C25H32O3 MolecularWeight: 380.51978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C2=CC=CC(=C2)C=CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C2=CC=CC(=C2)/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C25H32O3/c1-3-4-6-10-20-15-17-22(18-16-20)25(27)23-13-9-12-21(19-23)11-7-5-8-14-24(26)28-2/h7,9,11-13,15-19,25,27H,3-6,8,10,14H2,1-2H3/b11-7+