sodium (E)-4-oxidanylhept-5-enoate

Systemtic Name: sodium (E)-4-oxidanylhept-5-enoate Openeye Name: sodium (E)-4-hydroxyhept-5-enoate CAS Name: sodium (E)-4-hydroxy-5-heptenoate IUPAC Name: sodium (E)-4-hydroxyhept-5-enoate Traditional Name: sodium (E)-4-hydroxyhept-5-enoate Formula: C7H11NaO3 MolecularWeight: 166.15021

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CCC(=O)[O-])O.[Na+]

Isomeric SMILES

C/C=C/C(CCC(=O)[O-])O.[Na+]

InChI

InChI=1S/C7H12O3.Na/c1-2-3-6(8)4-5-7(9)10;/h2-3,6,8H,4-5H2,1H3,(H,9,10);/q;+1/p-1/b3-2+;