[(3S,4S)-1-methoxy-9-methyl-3-oxidanyl-1-oxidanylidene-decan-4-yl] benzoate

Systemtic Name: [(3S,4S)-1-methoxy-9-methyl-3-oxidanyl-1-oxidanylidene-decan-4-yl] benzoate Openeye Name: [(1S)-1-[(1S)-1-hydroxy-3-methoxy-3-oxo-propyl]-6-methyl-heptyl] benzoate CAS Name: benzoic acid [(3S,4S)-3-hydroxy-1-methoxy-9-methyl-1-oxodecan-4-yl] ester IUPAC Name: [(3S,4S)-3-hydroxy-1-methoxy-9-methyl-1-oxodecan-4-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1S)-1-hydroxy-3-keto-3-methoxy-propyl]-6-methyl-heptyl] ester Formula: C19H28O5 MolecularWeight: 336.42262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O5/c1-14(2)9-7-8-12-17(16(20)13-18(21)23-3)24-19(22)15-10-5-4-6-11-15/h4-6,10-11,14,16-17,20H,7-9,12-13H2,1-3H3/t16-,17-/m0/s1