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

Systemtic Name: [(4R,5R)-3,6-diethyl-3,6-dimethoxy-5-oxidanyl-octan-4-yl] benzoate Openeye Name: [(1R,2R)-3-ethyl-1-(1-ethyl-1-methoxy-propyl)-2-hydroxy-3-methoxy-pentyl] benzoate CAS Name: benzoic 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] benzoate Traditional Name: benzoic acid [(1R,2R)-3-ethyl-1-(1-ethyl-1-methoxy-propyl)-2-hydroxy-3-methoxy-pentyl] ester Formula: C21H34O5 MolecularWeight: 366.49166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O5/c1-7-20(8-2,24-5)17(22)18(21(9-3,10-4)25-6)26-19(23)16-14-12-11-13-15-16/h11-15,17-18,22H,7-10H2,1-6H3/t17-,18-/m1/s1