(3S)-3-hexyl-3-methyl-2-benzofuran-1-one

Systemtic Name: (3S)-3-hexyl-3-methyl-2-benzofuran-1-one Openeye Name: (3S)-3-hexyl-3-methyl-isobenzofuran-1-one CAS Name: (3S)-3-hexyl-3-methyl-1-isobenzofuranone IUPAC Name: (3S)-3-hexyl-3-methyl-2-benzofuran-1-one Traditional Name: (3S)-3-hexyl-3-methyl-phthalide Formula: C15H20O2 MolecularWeight: 232.3181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C2=CC=CC=C2C(=O)O1)C

Isomeric SMILES

CCCCCC[C@]1(C2=CC=CC=C2C(=O)O1)C

InChI

InChI=1S/C15H20O2/c1-3-4-5-8-11-15(2)13-10-7-6-9-12(13)14(16)17-15/h6-7,9-10H,3-5,8,11H2,1-2H3/t15-/m0/s1