(Z)-2-methyl-1-oxidanyl-3-oxidanylidene-hex-1-en-1-olate; (E)-2-oxidanylhex-2-enoate

Systemtic Name: (Z)-2-methyl-1-oxidanyl-3-oxidanylidene-hex-1-en-1-olate; (E)-2-oxidanylhex-2-enoate Openeye Name: (E)-2-hydroxyhex-2-enoate; (Z)-1-hydroxy-2-methyl-3-oxo-hex-1-en-1-olate CAS Name: (E)-2-hydroxy-2-hexenoate; (Z)-1-hydroxy-2-methyl-3-oxo-1-hexen-1-olate IUPAC Name: (E)-2-hydroxyhex-2-enoate; (Z)-1-hydroxy-2-methyl-3-oxohex-1-en-1-olate Traditional Name: (E)-2-hydroxyhex-2-enoate; (Z)-1-hydroxy-3-keto-2-methyl-hex-1-en-1-olate Formula: C13H20O6-2 MolecularWeight: 272.2943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12O3.C6H10O3/c1-3-4-6(8)5(2)7(9)10;1-2-3-4-5(7)6(8)9/h9-10H,3-4H2,1-2H3;4,7H,2-3H2,1H3,(H,8,9)/p-2/b;5-4+