[3-[1-(3-butanoyloxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] butanoate

Systemtic Name: [3-[1-(3-butanoyloxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] butanoate Openeye Name: [3-[1-(3-butanoyloxyphenyl)-3-oxo-isobenzofuran-1-yl]phenyl] butanoate CAS Name: butanoic acid [3-[3-oxo-1-[3-(1-oxobutoxy)phenyl]-1-isobenzofuranyl]phenyl] ester IUPAC Name: [3-[1-(3-butanoyloxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] butanoate Traditional Name: butyric acid [3-[1-(3-butyryloxyphenyl)-3-keto-phthalan-1-yl]phenyl] ester Formula: C28H26O6 MolecularWeight: 458.50244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=CC=C4)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1=CC=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=CC=C4)OC(=O)CCC

InChI

InChI=1S/C28H26O6/c1-3-9-25(29)32-21-13-7-11-19(17-21)28(24-16-6-5-15-23(24)27(31)34-28)20-12-8-14-22(18-20)33-26(30)10-4-2/h5-8,11-18H,3-4,9-10H2,1-2H3