(3aR,5R,6R)-5-ethanoyl-6-methyl-5-(phenylsulfinyl)-3,3a,4,6-tetrahydro-1-benzofuran-2-one

Systemtic Name: (3aR,5R,6R)-5-ethanoyl-6-methyl-5-(phenylsulfinyl)-3,3a,4,6-tetrahydro-1-benzofuran-2-one Openeye Name: (3aR,5R,6R)-5-acetyl-5-(benzenesulfinyl)-6-methyl-3,3a,4,6-tetrahydrobenzofuran-2-one CAS Name: (3aR,5R,6R)-5-acetyl-5-(benzenesulfinyl)-6-methyl-3,3a,4,6-tetrahydrobenzofuran-2-one IUPAC Name: (3aR,5R,6R)-5-acetyl-5-(benzenesulfinyl)-6-methyl-3,3a,4,6-tetrahydro-1-benzofuran-2-one Traditional Name: (3aR,5R,6R)-5-acetyl-5-(benzenesulfinyl)-6-methyl-3,3a,4,6-tetrahydrobenzofuran-2-one Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2C(CC(=O)O2)CC1(C(=O)C)S(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1C=C2[C@H](CC(=O)O2)C[C@@]1(C(=O)C)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H18O4S/c1-11-8-15-13(9-16(19)21-15)10-17(11,12(2)18)22(20)14-6-4-3-5-7-14/h3-8,11,13H,9-10H2,1-2H3/t11-,13-,17-,22?/m1/s1