[4-[1-(4-acetyloxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] 3-methylbutanoate

Systemtic Name: [4-[1-(4-acetyloxyphenyl)-3-oxidanylidene-2-benzofuran-1-yl]phenyl] 3-methylbutanoate Openeye Name: [4-[1-(4-acetoxyphenyl)-3-oxo-isobenzofuran-1-yl]phenyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [4-[1-(4-acetyloxyphenyl)-3-oxo-1-isobenzofuranyl]phenyl] ester IUPAC Name: [4-[1-(4-acetyloxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [4-[1-(4-acetoxyphenyl)-3-keto-phthalan-1-yl]phenyl] ester Formula: C27H24O6 MolecularWeight: 444.47586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24O6/c1-17(2)16-25(29)32-22-14-10-20(11-15-22)27(19-8-12-21(13-9-19)31-18(3)28)24-7-5-4-6-23(24)26(30)33-27/h4-15,17H,16H2,1-3H3