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

Systemtic Name: (2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]octa-2,6-dienedioic acid Openeye Name: (2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-hydroxy-3-oxo-prop-1-enyl]octa-2,6-dienedioic acid CAS Name: (2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-hydroxy-3-oxoprop-1-enyl]octa-2,6-dienedioic acid IUPAC Name: (2Z,6E)-2,3,4,4-tetrakis(hydroxymethyl)-5,5-bis[(E)-3-hydroxy-3-oxoprop-1-enyl]octa-2,6-dienedioic acid Traditional Name: (2Z,6E)-5,5-bis[(E)-3-hydroxy-3-keto-prop-1-enyl]-2,3,4,4-tetramethylol-octa-2,6-dienedioic acid Formula: C18H22O12 MolecularWeight: 430.36008

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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)/b4-1+,5-2+,6-3+,12-11+