(2E,5E)-4-[3,3-bis(ethylperoxy)-2-(hydroxymethyl)-1,4-bis(oxidanyl)butan-2-yl]-2-ethoxy-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]hepta-2,5-dienedioate

Systemtic Name: (2E,5E)-4-[3,3-bis(ethylperoxy)-2-(hydroxymethyl)-1,4-bis(oxidanyl)butan-2-yl]-2-ethoxy-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]hepta-2,5-dienedioate Openeye Name: (2E,5E)-4-[2,2-bis(ethylperoxy)-3-hydroxy-1,1-bis(hydroxymethyl)propyl]-2-ethoxy-4-[(E)-3-oxido-3-oxo-prop-1-enyl]hepta-2,5-dienedioate CAS Name: (2E,5E)-4-[3,3-bis(ethyldioxy)-1,4-dihydroxy-2-(hydroxymethyl)butan-2-yl]-2-ethoxy-4-[(E)-3-oxido-3-oxoprop-1-enyl]hepta-2,5-dienedioate IUPAC Name: (2E,5E)-4-[3,3-bis(ethylperoxy)-1,4-dihydroxy-2-(hydroxymethyl)butan-2-yl]-2-ethoxy-4-[(E)-3-oxido-3-oxoprop-1-enyl]hepta-2,5-dienedioate Traditional Name: (2E,5E)-4-[2,2-bis(ethylperoxy)-3-hydroxy-1,1-dimethylol-propyl]-2-ethoxy-4-[(E)-3-keto-3-oxido-prop-1-enyl]hepta-2,5-dienedioate Formula: C21H29O14-3 MolecularWeight: 505.44656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO/C(=C/C(C(C(OOCC)(OOCC)CO)(CO)CO)(/C=C/C(=O)[O-])/C=C/C(=O)[O-])/C(=O)[O-]

InChI

InChI=1S/C21H32O14/c1-4-31-15(18(29)30)11-19(9-7-16(25)26,10-8-17(27)28)20(12-22,13-23)21(14-24,34-32-5-2)35-33-6-3/h7-11,22-24H,4-6,12-14H2,1-3H3,(H,25,26)(H,27,28)(H,29,30)/p-3/b9-7+,10-8+,15-11+