[4-[1-(4-butanoyloxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] butanoate

Systemtic Name: [4-[1-(4-butanoyloxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] butanoate Openeye Name: [4-[1-(4-butanoyloxyphenyl)-3-oxo-isobenzofuran-1-yl]phenyl] butanoate CAS Name: butanoic acid [4-[3-oxo-1-[4-(1-oxobutoxy)phenyl]-1-isobenzofuranyl]phenyl] ester IUPAC Name: [4-[1-(4-butanoyloxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] butanoate Traditional Name: butyric acid [4-[1-(4-butyryloxyphenyl)-3-keto-phthalan-1-yl]phenyl] ester Formula: C28H26O6 MolecularWeight: 458.50244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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