1-[2-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonic acid

Systemtic Name: 1-[2-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonic acid Openeye Name: 1-[2-(1,1,3,3-tetramethylbutyl)phenoxy]ethanesulfonic acid CAS Name: 1-[2-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonic acid IUPAC Name: 1-[2-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanesulfonic acid Traditional Name: 1-[2-(1,1,3,3-tetramethylbutyl)phenoxy]ethanesulfonic acid Formula: C16H26O4S MolecularWeight: 314.44024

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC=CC=C1C(C)(C)CC(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CC(OC1=CC=CC=C1C(C)(C)CC(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C16H26O4S/c1-12(21(17,18)19)20-14-10-8-7-9-13(14)16(5,6)11-15(2,3)4/h7-10,12H,11H2,1-6H3,(H,17,18,19)