3,5-dimethoxy-2-[[(3R,6R)-4-oxidanylidene-6-propyl-oxan-3-yl]methyl]benzoic acid

Systemtic Name: 3,5-dimethoxy-2-[[(3R,6R)-4-oxidanylidene-6-propyl-oxan-3-yl]methyl]benzoic acid Openeye Name: 3,5-dimethoxy-2-[[(3R,6R)-4-oxo-6-propyl-tetrahydropyran-3-yl]methyl]benzoic acid CAS Name: 3,5-dimethoxy-2-[[(3R,6R)-4-oxo-6-propyl-3-oxanyl]methyl]benzoic acid IUPAC Name: 3,5-dimethoxy-2-[[(3R,6R)-4-oxo-6-propyloxan-3-yl]methyl]benzoic acid Traditional Name: 2-[[(3R,6R)-4-keto-6-propyl-tetrahydropyran-3-yl]methyl]-3,5-dimethoxy-benzoic acid Formula: C18H24O6 MolecularWeight: 336.37956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(=O)C(CO1)CC2=C(C=C(C=C2C(=O)O)OC)OC

Isomeric SMILES

CCC[C@@H]1CC(=O)[C@@H](CO1)CC2=C(C=C(C=C2C(=O)O)OC)OC

InChI

InChI=1S/C18H24O6/c1-4-5-12-8-16(19)11(10-24-12)6-14-15(18(20)21)7-13(22-2)9-17(14)23-3/h7,9,11-12H,4-6,8,10H2,1-3H3,(H,20,21)/t11-,12-/m1/s1