5,7-dihexyl-3-methyl-3H-2-benzofuran-1-one

Systemtic Name: 5,7-dihexyl-3-methyl-3H-2-benzofuran-1-one Openeye Name: 5,7-dihexyl-3-methyl-3H-isobenzofuran-1-one CAS Name: 5,7-dihexyl-3-methyl-3H-isobenzofuran-1-one IUPAC Name: 5,7-dihexyl-3-methyl-3H-2-benzofuran-1-one Traditional Name: 5,7-dihexyl-3-methyl-phthalide Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C2C(=C1)C(OC2=O)C)CCCCCC

Isomeric SMILES

CCCCCCC1=CC(=C2C(=C1)C(OC2=O)C)CCCCCC

InChI

InChI=1S/C21H32O2/c1-4-6-8-10-12-17-14-18(13-11-9-7-5-2)20-19(15-17)16(3)23-21(20)22/h14-16H,4-13H2,1-3H3