4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid

Systemtic Name: 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid Openeye Name: 4-(1-isobutyl-2,4,4-trimethyl-pentyl)benzenesulfonic acid CAS Name: 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid IUPAC Name: 4-(2,5,7,7-tetramethyloctan-4-yl)benzenesulfonic acid Traditional Name: 4-(1-isobutyl-2,4,4-trimethyl-pentyl)besylic acid Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30O3S/c1-13(2)11-17(14(3)12-18(4,5)6)15-7-9-16(10-8-15)22(19,20)21/h7-10,13-14,17H,11-12H2,1-6H3,(H,19,20,21)