(2E,6E)-4-methyl-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-4,5-bis(oxidanyl)octa-2,6-dienedioate; propane-1,2-diol

Systemtic Name: (2E,6E)-4-methyl-5-[(E)-3-oxidanidyl-3-oxidanylidene-prop-1-enyl]-4,5-bis(oxidanyl)octa-2,6-dienedioate; propane-1,2-diol Openeye Name: (2E,6E)-4,5-dihydroxy-4-methyl-5-[(E)-3-oxido-3-oxo-prop-1-enyl]octa-2,6-dienedioate; propane-1,2-diol CAS Name: (2E,6E)-4,5-dihydroxy-4-methyl-5-[(E)-3-oxido-3-oxoprop-1-enyl]octa-2,6-dienedioate; propane-1,2-diol IUPAC Name: (2E,6E)-4,5-dihydroxy-4-methyl-5-[(E)-3-oxido-3-oxoprop-1-enyl]octa-2,6-dienedioate; propane-1,2-diol Traditional Name: (2E,6E)-4,5-dihydroxy-4-[(E)-3-keto-3-oxido-prop-1-enyl]-5-methyl-octa-2,6-dienedioate; propane-1,2-diol Formula: C18H27O12-3 MolecularWeight: 435.39978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O8.2C3H8O2/c1-11(19,5-2-8(13)14)12(20,6-3-9(15)16)7-4-10(17)18;2*1-3(5)2-4/h2-7,19-20H,1H3,(H,13,14)(H,15,16)(H,17,18);2*3-5H,2H2,1H3/p-3/b5-2+,6-3+,7-4+;;