(3aS,6R,7aS)-6-propan-2-yl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one

Systemtic Name: (3aS,6R,7aS)-6-propan-2-yl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Openeye Name: (3aS,6R,7aS)-6-isopropyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one CAS Name: (3aS,6R,7aS)-6-propan-2-yl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one IUPAC Name: (3aS,6R,7aS)-6-propan-2-yl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Traditional Name: (3aS,6R,7aS)-6-isopropyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one Formula: C11H16O2 MolecularWeight: 180.24354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC2C(COC2=O)C=C1

Isomeric SMILES

CC(C)[C@H]1C[C@H]2[C@@H](COC2=O)C=C1

InChI

InChI=1S/C11H16O2/c1-7(2)8-3-4-9-6-13-11(12)10(9)5-8/h3-4,7-10H,5-6H2,1-2H3/t8-,9-,10+/m1/s1