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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCS(=O)(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCS(=O)(=O)O

InChI

InChI=1S/C16H26O4S/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)20-10-11-21(17,18)19/h6-9H,10-12H2,1-5H3,(H,17,18,19)