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

Systemtic Name: (2E,7E)-5,5-bis(hydroxymethyl)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enoxy]-4,6-bis[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-6-oxidanyl-nona-2,7-dienedioate; 2,2-bis(hydroxymethyl)propane-1,3-diol Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; (2E,7E)-4-hydroxy-5,5-bis(hydroxymethyl)-6-[(E)-3-oxido-3-oxo-prop-1-enoxy]-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-hydroxy-5,5-bis(hydroxymethyl)-6-[(E)-3-oxido-3-oxoprop-1-enoxy]-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-hydroxy-5,5-bis(hydroxymethyl)-6-[(E)-3-oxido-3-oxoprop-1-enoxy]-4,6-bis[(E)-3-oxido-3-oxoprop-1-enyl]nona-2,7-dienedioate Traditional Name: 2,2-dimethylolpropane-1,3-diol; (2E,7E)-4-hydroxy-6-[(E)-3-keto-3-oxido-prop-1-enoxy]-4,6-bis[(E)-3-keto-3-oxido-prop-1-enyl]-5,5-dimethylol-nona-2,7-dienedioate Formula: C25H29O18-5 MolecularWeight: 617.48696

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H22O14.C5H12O4/c21-11-18(12-22,19(33,6-1-13(23)24)7-2-14(25)26)20(8-3-15(27)28,9-4-16(29)30)34-10-5-17(31)32;6-1-5(2-7,3-8)4-9/h1-10,21-22,33H,11-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32);6-9H,1-4H2/p-5/b6-1+,7-2+,8-3+,9-4+,10-5+;