[(2S,3R)-2-ethoxycarbonyl-2-methyl-3,4-bis(oxidanyl)butyl] 4-bromanylbenzoate

Systemtic Name: [(2S,3R)-2-ethoxycarbonyl-2-methyl-3,4-bis(oxidanyl)butyl] 4-bromanylbenzoate Openeye Name: [(2S,3R)-2-ethoxycarbonyl-3,4-dihydroxy-2-methyl-butyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S,3R)-2-ethoxycarbonyl-3,4-dihydroxy-2-methylbutyl] ester IUPAC Name: [(2S,3R)-2-ethoxycarbonyl-3,4-dihydroxy-2-methylbutyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2S,3R)-2-carbethoxy-3,4-dihydroxy-2-methyl-butyl] ester Formula: C15H19BrO6 MolecularWeight: 375.21176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(COC(=O)C1=CC=C(C=C1)Br)C(CO)O

Isomeric SMILES

CCOC(=O)[C@@](C)(COC(=O)C1=CC=C(C=C1)Br)[C@H](CO)O

InChI

InChI=1S/C15H19BrO6/c1-3-21-14(20)15(2,12(18)8-17)9-22-13(19)10-4-6-11(16)7-5-10/h4-7,12,17-18H,3,8-9H2,1-2H3/t12-,15-/m0/s1