[1,2,3,5-tetrakis(oxidanyl)-6-oxidanylidene-non-8-en-4-yl] hydrogen sulfate

Systemtic Name: [1,2,3,5-tetrakis(oxidanyl)-6-oxidanylidene-non-8-en-4-yl] hydrogen sulfate Openeye Name: [2-hydroxy-3-oxo-1-(1,2,3-trihydroxypropyl)hex-5-enyl] hydrogen sulfate CAS Name: sulfuric acid (1,2,3,5-tetrahydroxy-6-oxonon-8-en-4-yl) ester IUPAC Name: (1,2,3,5-tetrahydroxy-6-oxonon-8-en-4-yl) hydrogen sulfate Traditional Name: sulfuric acid [2-hydroxy-3-keto-1-(1,2,3-trihydroxypropyl)hex-5-enyl] ester Formula: C9H16O9S MolecularWeight: 300.28294

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)C(C(C(C(CO)O)O)OS(=O)(=O)O)O

Isomeric SMILES

C=CCC(=O)C(C(C(C(CO)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C9H16O9S/c1-2-3-5(11)7(13)9(18-19(15,16)17)8(14)6(12)4-10/h2,6-10,12-14H,1,3-4H2,(H,15,16,17)