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2,2-bis(hydroxymethyl)propane-1,3-diol; (2E,7E)-5-[(2E,5E)-1,7-bis(oxidanidyl)-4-oxidanyl-1,7-bis(oxidanylidene)hepta-2,5-dien-4-yl]-5-(hydroxymethyl)-4,6-bis[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-4,6-bis(oxidanyl)nona-2,7-dienedioate

Systemtic Name:	2,2-bis(hydroxymethyl)propane-1,3-diol; (2E,7E)-5-[(2E,5E)-1,7-bis(oxidanidyl)-4-oxidanyl-1,7-bis(oxidanylidene)hepta-2,5-dien-4-yl]-5-(hydroxymethyl)-4,6-bis[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-4,6-bis(oxidanyl)nona-2,7-dienedioate
Openeye Name:	2,2-bis(hydroxymethyl)propane-1,3-diol; (2E,7E)-4,6-dihydroxy-5-(hydroxymethyl)-5-[(E)-1-hydroxy-4-oxido-1-[(E)-3-oxido-3-oxo-prop-1-enyl]-4-oxo-but-2-enyl]-4,6-bis[(E)-3-oxido-3-oxo-prop-1-enyl]nona-2,7-dienedioate
CAS Name:	2,2-bis(hydroxymethyl)propane-1,3-diol; (2E,7E)-4,6-dihydroxy-5-[(2E,5E)-4-hydroxy-1,7-dioxido-1,7-dioxohepta-2,5-dien-4-yl]-5-(hydroxymethyl)-4,6-bis[(E)-3-oxido-3-oxoprop-1-enyl]nona-2,7-dienedioate
IUPAC Name:	2,2-bis(hydroxymethyl)propane-1,3-diol; (2E,7E)-4,6-dihydroxy-5-[(2E,5E)-4-hydroxy-1,7-dioxido-1,7-dioxohepta-2,5-dien-4-yl]-5-(hydroxymethyl)-4,6-bis[(E)-3-oxido-3-oxoprop-1-enyl]nona-2,7-dienedioate
Traditional Name:	(2E,7E)-4,6-dihydroxy-5-[(E)-1-hydroxy-4-keto-1-[(E)-3-keto-3-oxido-prop-1-enyl]-4-oxido-but-2-enyl]-4,6-bis[(E)-3-keto-3-oxido-prop-1-enyl]-5-methylol-nona-2,7-dienedioate; 2,2-dimethylolpropane-1,3-diol
Formula:	C₂₈H₃₀O₂₀-6
MolecularWeight:	686.5258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24O16.C5H12O4/c24-13-23(20(37,7-1-14(25)26)8-2-15(27)28,21(38,9-3-16(29)30)10-4-17(31)32)22(39,11-5-18(33)34)12-6-19(35)36;6-1-5(2-7,3-8)4-9/h1-12,24,37-39H,13H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);6-9H,1-4H2/p-6/b7-1+,8-2+,9-3+,10-4+,11-5+,12-6+;