4,4,6,6-tetramethyl-1-pentyl-cyclohex-2-ene-1-sulfonic acid

Systemtic Name: 4,4,6,6-tetramethyl-1-pentyl-cyclohex-2-ene-1-sulfonic acid Openeye Name: 4,4,6,6-tetramethyl-1-pentyl-cyclohex-2-ene-1-sulfonic acid CAS Name: 4,4,6,6-tetramethyl-1-pentyl-1-cyclohex-2-enesulfonic acid IUPAC Name: 4,4,6,6-tetramethyl-1-pentylcyclohex-2-ene-1-sulfonic acid Traditional Name: 1-amyl-4,4,6,6-tetramethyl-cyclohex-2-ene-1-sulfonic acid Formula: C15H28O3S MolecularWeight: 288.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(CC1(C)C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCC1(C=CC(CC1(C)C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C15H28O3S/c1-6-7-8-9-15(19(16,17)18)11-10-13(2,3)12-14(15,4)5/h10-11H,6-9,12H2,1-5H3,(H,16,17,18)