(E)-hept-5-enoate dihydrate

Systemtic Name: (E)-hept-5-enoate dihydrate Openeye Name: (E)-hept-5-enoate dihydrate CAS Name: (E)-5-heptenoate dihydrate IUPAC Name: (E)-hept-5-enoate dihydrate Traditional Name: (E)-hept-5-enoate dihydrate Formula: C7H15O4- MolecularWeight: 163.1916

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCCC(=O)[O-].O.O

Isomeric SMILES

C/C=C/CCCC(=O)[O-].O.O

InChI

InChI=1S/C7H12O2.2H2O/c1-2-3-4-5-6-7(8)9;;/h2-3H,4-6H2,1H3,(H,8,9);2*1H2/p-1/b3-2+;;