3-butyl-3-phenyl-2-benzofuran-1-one

Systemtic Name: 3-butyl-3-phenyl-2-benzofuran-1-one Openeye Name: 3-butyl-3-phenyl-isobenzofuran-1-one CAS Name: 3-butyl-3-phenyl-1-isobenzofuranone IUPAC Name: 3-butyl-3-phenyl-2-benzofuran-1-one Traditional Name: 3-butyl-3-phenyl-phthalide Formula: C18H18O2 MolecularWeight: 266.33432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

Isomeric SMILES

CCCCC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

InChI

InChI=1S/C18H18O2/c1-2-3-13-18(14-9-5-4-6-10-14)16-12-8-7-11-15(16)17(19)20-18/h4-12H,2-3,13H2,1H3