(4aR)-2,3-dimethoxy-2,3-dimethyl-5-oxidanyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylic acid

Systemtic Name: (4aR)-2,3-dimethoxy-2,3-dimethyl-5-oxidanyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylic acid Openeye Name: (4aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylic acid CAS Name: (4aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-carboxylic acid IUPAC Name: (4aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylic acid Traditional Name: (4aR)-5-hydroxy-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-carboxylic acid Formula: C13H20O7 MolecularWeight: 288.2937

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC2C(O1)CC(=CC2O)C(=O)O)(C)OC)OC

Isomeric SMILES

CC1(C(OC2CC(=CC([C@H]2O1)O)C(=O)O)(C)OC)OC

InChI

InChI=1S/C13H20O7/c1-12(17-3)13(2,18-4)20-10-8(14)5-7(11(15)16)6-9(10)19-12/h5,8-10,14H,6H2,1-4H3,(H,15,16)/t8?,9?,10-,12?,13?/m1/s1