3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propane-1-sulfonic acid Openeye Name: 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propane-1-sulfonic acid CAS Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propane-1-sulfonic acid Traditional Name: 3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propane-1-sulfonic acid Formula: C17H28O4S MolecularWeight: 328.46682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCS(=O)(=O)O

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCCS(=O)(=O)O

InChI

InChI=1S/C17H28O4S/c1-16(2,3)13-17(4,5)14-7-9-15(10-8-14)21-11-6-12-22(18,19)20/h7-10H,6,11-13H2,1-5H3,(H,18,19,20)