[(2R,3S,4R)-3-acetyloxy-2-bromanyl-1-cyclohexyl-6-methyl-heptan-4-yl] ethanoate

Systemtic Name: [(2R,3S,4R)-3-acetyloxy-2-bromanyl-1-cyclohexyl-6-methyl-heptan-4-yl] ethanoate Openeye Name: [(1R,2S,3R)-2-acetoxy-3-bromo-4-cyclohexyl-1-isobutyl-butyl] acetate CAS Name: acetic acid [(2R,3S,4R)-3-acetyloxy-2-bromo-1-cyclohexyl-6-methylheptan-4-yl] ester IUPAC Name: [(2R,3S,4R)-3-acetyloxy-2-bromo-1-cyclohexyl-6-methylheptan-4-yl] acetate Traditional Name: acetic acid [(1R,2S,3R)-2-acetoxy-3-bromo-4-cyclohexyl-1-isobutyl-butyl] ester Formula: C18H31BrO4 MolecularWeight: 391.34034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(CC1CCCCC1)Br)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(C)C[C@H]([C@@H]([C@@H](CC1CCCCC1)Br)OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H31BrO4/c1-12(2)10-17(22-13(3)20)18(23-14(4)21)16(19)11-15-8-6-5-7-9-15/h12,15-18H,5-11H2,1-4H3/t16-,17-,18-/m1/s1