(3R)-3-(2-bromanyl-5-methoxy-phenyl)-5-(2-oxidanidyl-2-oxidanylidene-ethyl)heptanedioate

Systemtic Name: (3R)-3-(2-bromanyl-5-methoxy-phenyl)-5-(2-oxidanidyl-2-oxidanylidene-ethyl)heptanedioate Openeye Name: (3R)-3-(2-bromo-5-methoxy-phenyl)-5-(2-oxido-2-oxo-ethyl)heptanedioate CAS Name: (3R)-3-(2-bromo-5-methoxyphenyl)-5-(2-oxido-2-oxoethyl)heptanedioate IUPAC Name: (3R)-3-(2-bromo-5-methoxyphenyl)-5-(2-oxido-2-oxoethyl)heptanedioate Traditional Name: (3R)-3-(2-bromo-5-methoxy-phenyl)-5-(2-keto-2-oxido-ethyl)pimelate Formula: C16H16BrO7-3 MolecularWeight: 400.19804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(CC(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)Br)[C@H](CC(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C16H19BrO7/c1-24-11-2-3-13(17)12(8-11)10(7-16(22)23)4-9(5-14(18)19)6-15(20)21/h2-3,8-10H,4-7H2,1H3,(H,18,19)(H,20,21)(H,22,23)/p-3/t10-/m1/s1