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

Systemtic Name: (3aS,6R,7R,7aS)-6,7-dimethyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Openeye Name: (3aS,6R,7R,7aS)-6,7-dimethyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one CAS Name: (3aS,6R,7R,7aS)-6,7-dimethyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one IUPAC Name: (3aS,6R,7R,7aS)-6,7-dimethyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Traditional Name: (3aS,6R,7R,7aS)-6,7-dimethyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one Formula: C10H14O2 MolecularWeight: 166.21696

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2COC(=O)C2C1C

Isomeric SMILES

C[C@@H]1C=C[C@@H]2COC(=O)[C@H]2[C@@H]1C

InChI

InChI=1S/C10H14O2/c1-6-3-4-8-5-12-10(11)9(8)7(6)2/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-,9+/m1/s1