(3aS,4R,7aR)-4,6-bis(methoxymethyl)-7a-methyl-3a,4-dihydro-1-benzofuran-3,5-dione

Systemtic Name: (3aS,4R,7aR)-4,6-bis(methoxymethyl)-7a-methyl-3a,4-dihydro-1-benzofuran-3,5-dione Openeye Name: (3aS,4R,7aR)-4,6-bis(methoxymethyl)-7a-methyl-3a,4-dihydrobenzofuran-3,5-dione CAS Name: (3aS,4R,7aR)-4,6-bis(methoxymethyl)-7a-methyl-3a,4-dihydrobenzofuran-3,5-dione IUPAC Name: (3aS,4R,7aR)-4,6-bis(methoxymethyl)-7a-methyl-3a,4-dihydro-1-benzofuran-3,5-dione Traditional Name: (3aS,4R,7aR)-4,6-bis(methoxymethyl)-7a-methyl-3a,4-dihydrobenzofuran-3,5-quinone Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

CC12C=C(C(=O)C(C1C(=O)CO2)COC)COC

Isomeric SMILES

C[C@@]12C=C(C(=O)[C@H]([C@@H]1C(=O)CO2)COC)COC

InChI

InChI=1S/C13H18O5/c1-13-4-8(5-16-2)12(15)9(6-17-3)11(13)10(14)7-18-13/h4,9,11H,5-7H2,1-3H3/t9-,11+,13+/m0/s1