(3aS,7aR)-3,3-diethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1-one

Systemtic Name: (3aS,7aR)-3,3-diethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1-one Openeye Name: (3aS,7aR)-3,3-diethyl-3a,4,7,7a-tetrahydroisobenzofuran-1-one CAS Name: (3aS,7aR)-3,3-diethyl-3a,4,7,7a-tetrahydroisobenzofuran-1-one IUPAC Name: (3aS,7aR)-3,3-diethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1-one Traditional Name: (3aS,7aR)-3,3-diethyl-3a,4,7,7a-tetrahydroisobenzofuran-1-one Formula: C12H18O2 MolecularWeight: 194.27012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2CC=CCC2C(=O)O1)CC

Isomeric SMILES

CCC1([C@H]2CC=CC[C@H]2C(=O)O1)CC

InChI

InChI=1S/C12H18O2/c1-3-12(4-2)10-8-6-5-7-9(10)11(13)14-12/h5-6,9-10H,3-4,7-8H2,1-2H3/t9-,10+/m1/s1