4-(2-methylheptan-2-yl)benzenesulfonic acid

Systemtic Name: 4-(2-methylheptan-2-yl)benzenesulfonic acid Openeye Name: 4-(1,1-dimethylhexyl)benzenesulfonic acid CAS Name: 4-(2-methylheptan-2-yl)benzenesulfonic acid IUPAC Name: 4-(2-methylheptan-2-yl)benzenesulfonic acid Traditional Name: 4-(1,1-dimethylhexyl)besylic acid Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3S/c1-4-5-6-11-14(2,3)12-7-9-13(10-8-12)18(15,16)17/h7-10H,4-6,11H2,1-3H3,(H,15,16,17)