3-heptoxy-3-phenyl-2-benzofuran-1-one

Systemtic Name: 3-heptoxy-3-phenyl-2-benzofuran-1-one Openeye Name: 3-heptoxy-3-phenyl-isobenzofuran-1-one CAS Name: 3-heptoxy-3-phenyl-1-isobenzofuranone IUPAC Name: 3-heptoxy-3-phenyl-2-benzofuran-1-one Traditional Name: 3-heptoxy-3-phenyl-phthalide Formula: C21H24O3 MolecularWeight: 324.41346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3

InChI

InChI=1S/C21H24O3/c1-2-3-4-5-11-16-23-21(17-12-7-6-8-13-17)19-15-10-9-14-18(19)20(22)24-21/h6-10,12-15H,2-5,11,16H2,1H3