(3S)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one Openeye Name: (3S)-3-butyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one CAS Name: (3S)-3-butyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one Traditional Name: (3S)-3-butyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2CCCC=C2C(=O)O1

Isomeric SMILES

CCCC[C@H]1C2CCCC=C2C(=O)O1

InChI

InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9?,11-/m0/s1