1-(2-tert-butylphenyl)octane-1-sulfonic acid

Systemtic Name: 1-(2-tert-butylphenyl)octane-1-sulfonic acid Openeye Name: 1-(2-tert-butylphenyl)octane-1-sulfonic acid CAS Name: 1-(2-tert-butylphenyl)-1-octanesulfonic acid IUPAC Name: 1-(2-tert-butylphenyl)octane-1-sulfonic acid Traditional Name: 1-(2-tert-butylphenyl)octane-1-sulfonic acid Formula: C18H30O3S MolecularWeight: 326.494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC=CC=C1C(C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(C1=CC=CC=C1C(C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C18H30O3S/c1-5-6-7-8-9-14-17(22(19,20)21)15-12-10-11-13-16(15)18(2,3)4/h10-13,17H,5-9,14H2,1-4H3,(H,19,20,21)