[(3R,5R,7R)-5-(methoxymethoxy)-4,4,7-trimethyl-8-oxidanyl-oct-1-en-3-yl] benzoate

Systemtic Name: [(3R,5R,7R)-5-(methoxymethoxy)-4,4,7-trimethyl-8-oxidanyl-oct-1-en-3-yl] benzoate Openeye Name: [(1R,3R,5R)-6-hydroxy-3-(methoxymethoxy)-2,2,5-trimethyl-1-vinyl-hexyl] benzoate CAS Name: benzoic acid [(3R,5R,7R)-8-hydroxy-5-(methoxymethoxy)-4,4,7-trimethyloct-1-en-3-yl] ester IUPAC Name: [(3R,5R,7R)-8-hydroxy-5-(methoxymethoxy)-4,4,7-trimethyloct-1-en-3-yl] benzoate Traditional Name: benzoic acid [(1R)-1-[(2R,4R)-5-hydroxy-2-(methoxymethoxy)-1,1,4-trimethyl-pentyl]allyl] ester Formula: C20H30O5 MolecularWeight: 350.4492

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C)(C)C(C=C)OC(=O)C1=CC=CC=C1)OCOC)CO

Isomeric SMILES

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

InChI

InChI=1S/C20H30O5/c1-6-17(25-19(22)16-10-8-7-9-11-16)20(3,4)18(24-14-23-5)12-15(2)13-21/h6-11,15,17-18,21H,1,12-14H2,2-5H3/t15-,17-,18-/m1/s1