(E)-2-methylbut-2-enoate; (Z)-2-methyl-5-oxidanyl-hept-2-enoate

Systemtic Name: (E)-2-methylbut-2-enoate; (Z)-2-methyl-5-oxidanyl-hept-2-enoate Openeye Name: (Z)-5-hydroxy-2-methyl-hept-2-enoate; (E)-2-methylbut-2-enoate CAS Name: (Z)-5-hydroxy-2-methyl-2-heptenoate; (E)-2-methyl-2-butenoate IUPAC Name: (Z)-5-hydroxy-2-methylhept-2-enoate; (E)-2-methylbut-2-enoate Traditional Name: (Z)-5-hydroxy-2-methyl-hept-2-enoate; (E)-2-methylbut-2-enoate Formula: C13H20O5-2 MolecularWeight: 256.2949

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=C(C)C(=O)[O-])O.CC=C(C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C8H14O3.C5H8O2/c1-3-7(9)5-4-6(2)8(10)11;1-3-4(2)5(6)7/h4,7,9H,3,5H2,1-2H3,(H,10,11);3H,1-2H3,(H,6,7)/p-2/b6-4-;4-3+