(2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoate

Systemtic Name: (2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoate Openeye Name: (2S)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propanoate CAS Name: (2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoate IUPAC Name: (2S)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanoate Traditional Name: (2S)-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propionate Formula: C17H25O3- MolecularWeight: 277.3786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)[O-])OC1=CC=C(C=C1)C(C)(C)CC(C)(C)C

InChI

InChI=1S/C17H26O3/c1-12(15(18)19)20-14-9-7-13(8-10-14)17(5,6)11-16(2,3)4/h7-10,12H,11H2,1-6H3,(H,18,19)/p-1/t12-/m0/s1