(2S,3S,3aR)-2-(1,3-benzodioxol-5-yl)-3,3a-dimethyl-5-oxidanyl-2,3-dihydro-1-benzofuran-6-one

Systemtic Name: (2S,3S,3aR)-2-(1,3-benzodioxol-5-yl)-3,3a-dimethyl-5-oxidanyl-2,3-dihydro-1-benzofuran-6-one Openeye Name: (2S,3S,3aR)-2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,3a-dimethyl-2,3-dihydrobenzofuran-6-one CAS Name: (2S,3S,3aR)-2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,3a-dimethyl-2,3-dihydrobenzofuran-6-one IUPAC Name: (2S,3S,3aR)-2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,3a-dimethyl-2,3-dihydro-1-benzofuran-6-one Traditional Name: (2S,3S,3aR)-2-(1,3-benzodioxol-5-yl)-5-hydroxy-3,3a-dimethyl-2,3-dihydrobenzofuran-6-one Formula: C17H16O5 MolecularWeight: 300.30594

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC(=O)C(=CC12C)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H]1[C@H](OC2=CC(=O)C(=C[C@@]12C)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16O5/c1-9-16(10-3-4-13-14(5-10)21-8-20-13)22-15-6-11(18)12(19)7-17(9,15)2/h3-7,9,16,19H,8H2,1-2H3/t9-,16+,17+/m1/s1