methyl (E,2S)-2-methyl-4-oxidanylidene-hept-5-enoate

Systemtic Name: methyl (E,2S)-2-methyl-4-oxidanylidene-hept-5-enoate Openeye Name: methyl (E,2S)-2-methyl-4-oxo-hept-5-enoate CAS Name: (E,2S)-2-methyl-4-oxo-5-heptenoic acid methyl ester IUPAC Name: methyl (E,2S)-2-methyl-4-oxohept-5-enoate Traditional Name: (E,2S)-4-keto-2-methyl-hept-5-enoic acid methyl ester Formula: C9H14O3 MolecularWeight: 170.20566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C(=O)C[C@H](C)C(=O)OC

InChI

InChI=1S/C9H14O3/c1-4-5-8(10)6-7(2)9(11)12-3/h4-5,7H,6H2,1-3H3/b5-4+/t7-/m0/s1