(2S,3aR,7R,7aS)-7-oxidanyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one

Systemtic Name: (2S,3aR,7R,7aS)-7-oxidanyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one Openeye Name: (2S,3aR,7R,7aS)-7-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one CAS Name: (2S,3aR,7R,7aS)-7-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one IUPAC Name: (2S,3aR,7R,7aS)-7-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one Traditional Name: (2S,3aR,7R,7aS)-7-hydroxy-2-phenyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-5-one Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(CC1=O)OC(O2)C3=CC=CC=C3)O

Isomeric SMILES

C1[C@H]([C@H]2[C@@H](CC1=O)O[C@@H](O2)C3=CC=CC=C3)O

InChI

InChI=1S/C13H14O4/c14-9-6-10(15)12-11(7-9)16-13(17-12)8-4-2-1-3-5-8/h1-5,10-13,15H,6-7H2/t10-,11-,12+,13+/m1/s1