(3R)-3-(3-methoxyphenyl)-5-(2-oxidanidyl-2-oxidanylidene-ethyl)heptanedioate

Systemtic Name: (3R)-3-(3-methoxyphenyl)-5-(2-oxidanidyl-2-oxidanylidene-ethyl)heptanedioate Openeye Name: (3R)-3-(3-methoxyphenyl)-5-(2-oxido-2-oxo-ethyl)heptanedioate CAS Name: (3R)-3-(3-methoxyphenyl)-5-(2-oxido-2-oxoethyl)heptanedioate IUPAC Name: (3R)-3-(3-methoxyphenyl)-5-(2-oxido-2-oxoethyl)heptanedioate Traditional Name: (5R)-3-(2-keto-2-oxido-ethyl)-5-(3-methoxyphenyl)pimelate Formula: C16H17O7-3 MolecularWeight: 321.30198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O7/c1-23-13-4-2-3-11(8-13)12(9-16(21)22)5-10(6-14(17)18)7-15(19)20/h2-4,8,10,12H,5-7,9H2,1H3,(H,17,18)(H,19,20)(H,21,22)/p-3/t12-/m1/s1