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

Systemtic Name: 2-butoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid Openeye Name: 2-butoxy-5-(1,1,3,3-tetramethylbutyl)benzenesulfonic acid CAS Name: 2-butoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid IUPAC Name: 2-butoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonic acid Traditional Name: 2-butoxy-5-(1,1,3,3-tetramethylbutyl)besylic acid Formula: C18H30O4S MolecularWeight: 342.4934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C18H30O4S/c1-7-8-11-22-15-10-9-14(12-16(15)23(19,20)21)18(5,6)13-17(2,3)4/h9-10,12H,7-8,11,13H2,1-6H3,(H,19,20,21)