methyl (3S)-4,4-dimethyl-3-oxidanyl-5-oxidanylidene-heptanoate

Systemtic Name: methyl (3S)-4,4-dimethyl-3-oxidanyl-5-oxidanylidene-heptanoate Openeye Name: methyl (3S)-3-hydroxy-4,4-dimethyl-5-oxo-heptanoate CAS Name: (3S)-3-hydroxy-4,4-dimethyl-5-oxoheptanoic acid methyl ester IUPAC Name: methyl (3S)-3-hydroxy-4,4-dimethyl-5-oxoheptanoate Traditional Name: (3S)-3-hydroxy-5-keto-4,4-dimethyl-enanthic acid methyl ester Formula: C10H18O4 MolecularWeight: 202.24752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)C(C)(C)[C@H](CC(=O)OC)O

InChI

InChI=1S/C10H18O4/c1-5-7(11)10(2,3)8(12)6-9(13)14-4/h8,12H,5-6H2,1-4H3/t8-/m0/s1