(2E,5E)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-4-(3-oxidanylpropyl)hepta-2,5-dienedioate

Systemtic Name: (2E,5E)-4-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-4-(3-oxidanylpropyl)hepta-2,5-dienedioate Openeye Name: (2E,5E)-4-(3-hydroxypropyl)-4-[(E)-3-oxido-3-oxo-prop-1-enyl]hepta-2,5-dienedioate CAS Name: (2E,5E)-4-(3-hydroxypropyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]hepta-2,5-dienedioate IUPAC Name: (2E,5E)-4-(3-hydroxypropyl)-4-[(E)-3-oxido-3-oxoprop-1-enyl]hepta-2,5-dienedioate Traditional Name: (2E,5E)-4-(3-hydroxypropyl)-4-[(E)-3-keto-3-oxido-prop-1-enyl]hepta-2,5-dienedioate Formula: C13H13O7-3 MolecularWeight: 281.23812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O7/c14-9-1-5-13(6-2-10(15)16,7-3-11(17)18)8-4-12(19)20/h2-4,6-8,14H,1,5,9H2,(H,15,16)(H,17,18)(H,19,20)/p-3/b6-2+,7-3+,8-4+