dimethyl (1R,6R)-6-oxidanyl-1-propyl-cyclohexa-2,4-diene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,6R)-6-oxidanyl-1-propyl-cyclohexa-2,4-diene-1,2-dicarboxylate Openeye Name: dimethyl (1R,6R)-6-hydroxy-1-propyl-cyclohexa-2,4-diene-1,2-dicarboxylate CAS Name: (1R,6R)-6-hydroxy-1-propylcyclohexa-2,4-diene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,6R)-6-hydroxy-1-propylcyclohexa-2,4-diene-1,2-dicarboxylate Traditional Name: (1R,6R)-6-hydroxy-1-propyl-cyclohexa-2,4-diene-1,2-dicarboxylic acid dimethyl ester Formula: C13H18O5 MolecularWeight: 254.27902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(C=CC=C1C(=O)OC)O)C(=O)OC

Isomeric SMILES

CCC[C@@]1([C@@H](C=CC=C1C(=O)OC)O)C(=O)OC

InChI

InChI=1S/C13H18O5/c1-4-8-13(12(16)18-3)9(11(15)17-2)6-5-7-10(13)14/h5-7,10,14H,4,8H2,1-3H3/t10-,13-/m1/s1