[(E)-oct-2-en-2-yl] hydrogen carbonate hydrate

Systemtic Name: [(E)-oct-2-en-2-yl] hydrogen carbonate hydrate Openeye Name: [(E)-1-methylhept-1-enyl] hydrogen carbonate hydrate CAS Name: carbonic acid [(E)-oct-2-en-2-yl] ester hydrate IUPAC Name: [(E)-oct-2-en-2-yl] hydrogen carbonate hydrate Traditional Name: carbonic acid [(E)-1-methylhept-1-enyl] ester hydrate Formula: C9H18O4 MolecularWeight: 190.23682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(C)OC(=O)O.O

Isomeric SMILES

CCCCC/C=C(\C)/OC(=O)O.O

InChI

InChI=1S/C9H16O3.H2O/c1-3-4-5-6-7-8(2)12-9(10)11;/h7H,3-6H2,1-2H3,(H,10,11);1H2/b8-7+;