methyl (2S)-2-methyl-6-oxidanylidene-heptanoate

Systemtic Name: methyl (2S)-2-methyl-6-oxidanylidene-heptanoate Openeye Name: methyl (2S)-2-methyl-6-oxo-heptanoate CAS Name: (2S)-2-methyl-6-oxoheptanoic acid methyl ester IUPAC Name: methyl (2S)-2-methyl-6-oxoheptanoate Traditional Name: (2S)-6-keto-2-methyl-enanthic acid methyl ester Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16O3/c1-7(9(11)12-3)5-4-6-8(2)10/h7H,4-6H2,1-3H3/t7-/m0/s1