2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid

Systemtic Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid Openeye Name: 2-octoxy-5-(1,1,3,3-tetramethylbutyl)benzenesulfonic acid CAS Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid IUPAC Name: 2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid Traditional Name: 2-octoxy-5-(1,1,3,3-tetramethylbutyl)besylic acid Formula: C22H38O4S MolecularWeight: 398.59972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C22H38O4S/c1-7-8-9-10-11-12-15-26-19-14-13-18(16-20(19)27(23,24)25)22(5,6)17-21(2,3)4/h13-14,16H,7-12,15,17H2,1-6H3,(H,23,24,25)