(2S)-2-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3-methyl-butanoate Openeye Name: (2S)-2-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]-3-methyl-butanoate CAS Name: (2S)-2-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3-methylbutanoate IUPAC Name: (2S)-2-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-3-methylbutanoate Traditional Name: (2S)-2-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]-3-methyl-butyrate Formula: C19H28BrO3- MolecularWeight: 384.32782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29BrO3/c1-12(2)16(17(21)22)23-15-9-8-13(10-14(15)20)19(6,7)11-18(3,4)5/h8-10,12,16H,11H2,1-7H3,(H,21,22)/p-1/t16-/m0/s1