methyl 4-[3-[(1E,3E)-dodeca-1,3-dienyl]-1,3-dihydro-2-benzofuran-1-yl]butanoate

Systemtic Name: methyl 4-[3-[(1E,3E)-dodeca-1,3-dienyl]-1,3-dihydro-2-benzofuran-1-yl]butanoate Openeye Name: methyl 4-[3-[(1E,3E)-dodeca-1,3-dienyl]-1,3-dihydroisobenzofuran-1-yl]butanoate CAS Name: 4-[3-[(1E,3E)-dodeca-1,3-dienyl]-1,3-dihydroisobenzofuran-1-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[(1E,3E)-dodeca-1,3-dienyl]-1,3-dihydro-2-benzofuran-1-yl]butanoate Traditional Name: 4-[3-[(1E,3E)-dodeca-1,3-dienyl]phthalan-1-yl]butyric acid methyl ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC=CC1C2=CC=CC=C2C(O1)CCCC(=O)OC

Isomeric SMILES

CCCCCCCC/C=C/C=C/C1C2=CC=CC=C2C(O1)CCCC(=O)OC

InChI

InChI=1S/C25H36O3/c1-3-4-5-6-7-8-9-10-11-12-18-23-21-16-13-14-17-22(21)24(28-23)19-15-20-25(26)27-2/h10-14,16-18,23-24H,3-9,15,19-20H2,1-2H3/b11-10+,18-12+