methyl (E)-3-methyl-3-oxidanyl-2-oxidanylidene-hept-5-enoate

Systemtic Name: methyl (E)-3-methyl-3-oxidanyl-2-oxidanylidene-hept-5-enoate Openeye Name: methyl (E)-3-hydroxy-3-methyl-2-oxo-hept-5-enoate CAS Name: (E)-3-hydroxy-3-methyl-2-oxo-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-3-hydroxy-3-methyl-2-oxohept-5-enoate Traditional Name: (E)-3-hydroxy-2-keto-3-methyl-hept-5-enoic acid methyl ester Formula: C9H14O4 MolecularWeight: 186.20506

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C)(C(=O)C(=O)OC)O

Isomeric SMILES

C/C=C/CC(C)(C(=O)C(=O)OC)O

InChI

InChI=1S/C9H14O4/c1-4-5-6-9(2,12)7(10)8(11)13-3/h4-5,12H,6H2,1-3H3/b5-4+