(3R,3aS)-3-hexyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one

Systemtic Name: (3R,3aS)-3-hexyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one Openeye Name: (3R,3aS)-3-hexyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one CAS Name: (3R,3aS)-3-hexyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one IUPAC Name: (3R,3aS)-3-hexyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one Traditional Name: (3R,3aS)-3-hexyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one Formula: C14H22O2 MolecularWeight: 222.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2CCCC=C2C(=O)O1

Isomeric SMILES

CCCCCC[C@@H]1[C@H]2CCCC=C2C(=O)O1

InChI

InChI=1S/C14H22O2/c1-2-3-4-5-10-13-11-8-6-7-9-12(11)14(15)16-13/h9,11,13H,2-8,10H2,1H3/t11-,13+/m0/s1