(3aS,7aR)-3,3,7a-trimethyl-3a,5,6,7-tetrahydro-1H-2-benzofuran-4-one

Systemtic Name: (3aS,7aR)-3,3,7a-trimethyl-3a,5,6,7-tetrahydro-1H-2-benzofuran-4-one Openeye Name: (3aS,7aR)-3,3,7a-trimethyl-3a,5,6,7-tetrahydro-1H-isobenzofuran-4-one CAS Name: (3aS,7aR)-3,3,7a-trimethyl-3a,5,6,7-tetrahydro-1H-isobenzofuran-4-one IUPAC Name: (3aS,7aR)-3,3,7a-trimethyl-3a,5,6,7-tetrahydro-1H-2-benzofuran-4-one Traditional Name: (3aS,7aR)-3,3,7a-trimethyl-3a,5,6,7-tetrahydro-1H-isobenzofuran-4-one Formula: C11H18O2 MolecularWeight: 182.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(=O)CCCC2(CO1)C)C

Isomeric SMILES

C[C@@]12CCCC(=O)[C@@H]1C(OC2)(C)C

InChI

InChI=1S/C11H18O2/c1-10(2)9-8(12)5-4-6-11(9,3)7-13-10/h9H,4-7H2,1-3H3/t9-,11+/m1/s1