[(2R,4R,5R)-2,4,6-trimethyl-5-oxidanyl-3-oxidanylidene-heptyl] 3,4-dimethoxybenzoate

Systemtic Name: [(2R,4R,5R)-2,4,6-trimethyl-5-oxidanyl-3-oxidanylidene-heptyl] 3,4-dimethoxybenzoate Openeye Name: [(2R,4R,5R)-5-hydroxy-2,4,6-trimethyl-3-oxo-heptyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2R,4R,5R)-5-hydroxy-2,4,6-trimethyl-3-oxoheptyl] ester IUPAC Name: [(2R,4R,5R)-5-hydroxy-2,4,6-trimethyl-3-oxoheptyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(2R,4R,5R)-5-hydroxy-3-keto-2,4,6-trimethyl-heptyl] ester Formula: C19H28O6 MolecularWeight: 352.42202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C(=O)C(C)COC(=O)C1=CC(=C(C=C1)OC)OC)O

Isomeric SMILES

C[C@H](COC(=O)C1=CC(=C(C=C1)OC)OC)C(=O)[C@H](C)[C@@H](C(C)C)O

InChI

InChI=1S/C19H28O6/c1-11(2)17(20)13(4)18(21)12(3)10-25-19(22)14-7-8-15(23-5)16(9-14)24-6/h7-9,11-13,17,20H,10H2,1-6H3/t12-,13-,17-/m1/s1