[(4R,5R)-3,6-diethyl-3,6-dimethoxy-5-oxidanyl-octan-4-yl] 4-methoxybenzoate

Systemtic Name: [(4R,5R)-3,6-diethyl-3,6-dimethoxy-5-oxidanyl-octan-4-yl] 4-methoxybenzoate Openeye Name: [(1R,2R)-3-ethyl-1-(1-ethyl-1-methoxy-propyl)-2-hydroxy-3-methoxy-pentyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(4R,5R)-3,6-diethyl-5-hydroxy-3,6-dimethoxyoctan-4-yl] ester IUPAC Name: [(4R,5R)-3,6-diethyl-5-hydroxy-3,6-dimethoxyoctan-4-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1R,2R)-3-ethyl-1-(1-ethyl-1-methoxy-propyl)-2-hydroxy-3-methoxy-pentyl] ester Formula: C22H36O6 MolecularWeight: 396.51764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O6/c1-8-21(9-2,26-6)18(23)19(22(10-3,11-4)27-7)28-20(24)16-12-14-17(25-5)15-13-16/h12-15,18-19,23H,8-11H2,1-7H3/t18-,19-/m1/s1