7-ethoxycarbonyl-4,5-bis(oxidanyl)nona-2,6-dienoate

Systemtic Name: 7-ethoxycarbonyl-4,5-bis(oxidanyl)nona-2,6-dienoate Openeye Name: 7-ethoxycarbonyl-4,5-dihydroxy-nona-2,6-dienoate CAS Name: 7-ethoxycarbonyl-4,5-dihydroxynona-2,6-dienoate IUPAC Name: 7-ethoxycarbonyl-4,5-dihydroxynona-2,6-dienoate Traditional Name: 7-carbethoxy-4,5-dihydroxy-nona-2,6-dienoate Formula: C12H17O6- MolecularWeight: 257.25978

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(C(C=CC(=O)[O-])O)O)C(=O)OCC

Isomeric SMILES

CCC(=CC(C(C=CC(=O)[O-])O)O)C(=O)OCC

InChI

InChI=1S/C12H18O6/c1-3-8(12(17)18-4-2)7-10(14)9(13)5-6-11(15)16/h5-7,9-10,13-14H,3-4H2,1-2H3,(H,15,16)/p-1