[(Z)-7-oxidanylidenehept-2-en-2-yl] hydrogen carbonate trihydrate

Systemtic Name: [(Z)-7-oxidanylidenehept-2-en-2-yl] hydrogen carbonate trihydrate Openeye Name: [(Z)-1-methyl-6-oxo-hex-1-enyl] hydrogen carbonate trihydrate CAS Name: carbonic acid [(Z)-7-oxohept-2-en-2-yl] ester trihydrate IUPAC Name: [(Z)-7-oxohept-2-en-2-yl] hydrogen carbonate trihydrate Traditional Name: carbonic acid [(Z)-6-keto-1-methyl-hex-1-enyl] ester trihydrate Formula: C8H18O7 MolecularWeight: 226.22432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCCC=O)OC(=O)O.O.O.O

Isomeric SMILES

C/C(=C/CCCC=O)/OC(=O)O.O.O.O

InChI

InChI=1S/C8H12O4.3H2O/c1-7(12-8(10)11)5-3-2-4-6-9;;;/h5-6H,2-4H2,1H3,(H,10,11);3*1H2/b7-5-;;;