(2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]octa-2,6-dienedioate

Systemtic Name: (2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]octa-2,6-dienedioate Openeye Name: (2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-oxido-3-oxo-prop-1-enyl]octa-2,6-dienedioate CAS Name: (2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-oxido-3-oxoprop-1-enyl]octa-2,6-dienedioate IUPAC Name: (2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-oxido-3-oxoprop-1-enyl]octa-2,6-dienedioate Traditional Name: (2Z,6E)-5,5-bis[(E)-3-keto-3-oxido-prop-1-enyl]-2,3,4,4-tetramethylol-octa-2,6-dienedioate Formula: C18H18O12-4 MolecularWeight: 426.32832

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=C(CO)C(CO)(CO)C(C=CC(=O)[O-])(C=CC(=O)[O-])C=CC(=O)[O-])C(=O)[O-])O

Isomeric SMILES

C(O)/C(=C(\C(C(/C=C/C(=O)[O-])(/C=C/C(=O)[O-])/C=C/C(=O)[O-])(CO)CO)/CO)/C(=O)[O-]

InChI

InChI=1S/C18H22O12/c19-7-11(16(29)30)12(8-20)18(9-21,10-22)17(4-1-13(23)24,5-2-14(25)26)6-3-15(27)28/h1-6,19-22H,7-10H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/p-4/b4-1+,5-2+,6-3+,12-11+