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

Systemtic Name: (2S)-3-methyl-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoate Openeye Name: (2S)-3-methyl-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]butanoate CAS Name: (2S)-3-methyl-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoate IUPAC Name: (2S)-3-methyl-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]butanoate Traditional Name: (2S)-3-methyl-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]butyrate Formula: C19H29O3- MolecularWeight: 305.43176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O3/c1-13(2)16(17(20)21)22-15-10-8-14(9-11-15)19(6,7)12-18(3,4)5/h8-11,13,16H,12H2,1-7H3,(H,20,21)/p-1/t16-/m0/s1