(3aR,4R,5S,7aR)-4-ethoxy-2,5-dimethyl-5-oxidanyl-4,7a-dihydro-3aH-isoindole-1,3-dione

Systemtic Name: (3aR,4R,5S,7aR)-4-ethoxy-2,5-dimethyl-5-oxidanyl-4,7a-dihydro-3aH-isoindole-1,3-dione Openeye Name: (3aR,4R,5S,7aR)-4-ethoxy-5-hydroxy-2,5-dimethyl-4,7a-dihydro-3aH-isoindole-1,3-dione CAS Name: (3aR,4R,5S,7aR)-4-ethoxy-5-hydroxy-2,5-dimethyl-4,7a-dihydro-3aH-isoindole-1,3-dione IUPAC Name: (3aR,4R,5S,7aR)-4-ethoxy-5-hydroxy-2,5-dimethyl-4,7a-dihydro-3aH-isoindole-1,3-dione Traditional Name: (3aR,4R,5S,7aR)-4-ethoxy-5-hydroxy-2,5-dimethyl-4,7a-dihydro-3aH-isoindole-1,3-quinone Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C2C(C=CC1(C)O)C(=O)N(C2=O)C

Isomeric SMILES

CCO[C@@H]1[C@H]2[C@@H](C=C[C@]1(C)O)C(=O)N(C2=O)C

InChI

InChI=1S/C12H17NO4/c1-4-17-9-8-7(5-6-12(9,2)16)10(14)13(3)11(8)15/h5-9,16H,4H2,1-3H3/t7-,8-,9-,12+/m1/s1