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

Systemtic Name: 4-[3-[(1E,3E)-dodeca-1,3-dienyl]-1,3-dihydro-2-benzofuran-1-yl]butanoate Openeye Name: 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]butanoate IUPAC Name: 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]butyrate Formula: C24H33O3- MolecularWeight: 369.51702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CC=CC1C2=CC=CC=C2C(O1)CCCC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/C=C/C1C2=CC=CC=C2C(O1)CCCC(=O)[O-]

InChI

InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-17-22-20-15-12-13-16-21(20)23(27-22)18-14-19-24(25)26/h9-13,15-17,22-23H,2-8,14,18-19H2,1H3,(H,25,26)/p-1/b10-9+,17-11+