[(1S,2S,6R)-2-bromanyl-4-methoxycarbonyl-6-[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]oxy-cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1S,2S,6R)-2-bromanyl-4-methoxycarbonyl-6-[(2S)-1-methoxy-1-oxidanylidene-propan-2-yl]oxy-cyclohex-3-en-1-yl] benzoate Openeye Name: [(1S,2S,6R)-2-bromo-4-methoxycarbonyl-6-[(1S)-2-methoxy-1-methyl-2-oxo-ethoxy]cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1S,2S,6R)-2-bromo-4-methoxycarbonyl-6-[(2S)-1-methoxy-1-oxopropan-2-yl]oxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2S,6R)-2-bromo-4-methoxycarbonyl-6-[(2S)-1-methoxy-1-oxopropan-2-yl]oxycyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,2S,6R)-2-bromo-4-carbomethoxy-6-[(1S)-2-keto-2-methoxy-1-methyl-ethoxy]cyclohex-3-en-1-yl] ester Formula: C19H21BrO7 MolecularWeight: 441.26984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC1CC(=CC(C1OC(=O)C2=CC=CC=C2)Br)C(=O)OC

Isomeric SMILES

C[C@@H](C(=O)OC)O[C@@H]1CC(=C[C@@H]([C@H]1OC(=O)C2=CC=CC=C2)Br)C(=O)OC

InChI

InChI=1S/C19H21BrO7/c1-11(17(21)24-2)26-15-10-13(18(22)25-3)9-14(20)16(15)27-19(23)12-7-5-4-6-8-12/h4-9,11,14-16H,10H2,1-3H3/t11-,14-,15+,16+/m0/s1