[(2S,3S)-8-methyl-2-oxidanyl-1-(1-oxidanylcyclopropyl)nonan-3-yl] benzoate

Systemtic Name: [(2S,3S)-8-methyl-2-oxidanyl-1-(1-oxidanylcyclopropyl)nonan-3-yl] benzoate Openeye Name: [(1S)-1-[(1S)-1-hydroxy-2-(1-hydroxycyclopropyl)ethyl]-6-methyl-heptyl] benzoate CAS Name: benzoic acid [(2S,3S)-2-hydroxy-1-(1-hydroxycyclopropyl)-8-methylnonan-3-yl] ester IUPAC Name: [(2S,3S)-2-hydroxy-1-(1-hydroxycyclopropyl)-8-methylnonan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1S)-1-hydroxy-2-(1-hydroxycyclopropyl)ethyl]-6-methyl-heptyl] ester Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(C(CC1(CC1)O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCCC[C@@H]([C@H](CC1(CC1)O)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H30O4/c1-15(2)8-6-7-11-18(17(21)14-20(23)12-13-20)24-19(22)16-9-4-3-5-10-16/h3-5,9-10,15,17-18,21,23H,6-8,11-14H2,1-2H3/t17-,18-/m0/s1