methyl (2S,3S)-2,4,4-trimethyl-3-oxidanyl-pentanoate

Systemtic Name: methyl (2S,3S)-2,4,4-trimethyl-3-oxidanyl-pentanoate Openeye Name: methyl (2S,3S)-3-hydroxy-2,4,4-trimethyl-pentanoate CAS Name: (2S,3S)-3-hydroxy-2,4,4-trimethylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-2,4,4-trimethylpentanoate Traditional Name: (2S,3S)-3-hydroxy-2,4,4-trimethyl-valeric acid methyl ester Formula: C9H18O3 MolecularWeight: 174.23742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O3/c1-6(8(11)12-5)7(10)9(2,3)4/h6-7,10H,1-5H3/t6-,7-/m0/s1