(2S)-3-methyl-2-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxy-butanoate

Systemtic Name: (2S)-3-methyl-2-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxy-butanoate Openeye Name: (2S)-3-methyl-2-[(1S,5S)-3,3,5-trimethylcyclohexoxy]butanoate CAS Name: (2S)-3-methyl-2-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxybutanoate IUPAC Name: (2S)-3-methyl-2-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxybutanoate Traditional Name: (2S)-3-methyl-2-[(1S,5S)-3,3,5-trimethylcyclohexoxy]butyrate Formula: C14H25O3- MolecularWeight: 241.3465

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OC(C(C)C)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(C)C)O[C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C14H26O3/c1-9(2)12(13(15)16)17-11-6-10(3)7-14(4,5)8-11/h9-12H,6-8H2,1-5H3,(H,15,16)/p-1/t10-,11+,12+/m1/s1