3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one

Systemtic Name: 3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one Openeye Name: 3-butyl-3a,4,5,7a-tetrahydro-3H-isobenzofuran-1-one CAS Name: 3-butyl-3a,4,5,7a-tetrahydro-3H-isobenzofuran-1-one IUPAC Name: 3-butyl-3a,4,5,7a-tetrahydro-3H-2-benzofuran-1-one Traditional Name: 3-butyl-3a,4,5,7a-tetrahydro-3H-isobenzofuran-1-one Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2CCC=CC2C(=O)O1

Isomeric SMILES

CCCCC1C2CCC=CC2C(=O)O1

InChI

InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,9-11H,2-4,6,8H2,1H3