3,3,6,6-tetramethyloct-4-yne-2,7-disulfonic acid

Systemtic Name: 3,3,6,6-tetramethyloct-4-yne-2,7-disulfonic acid Openeye Name: 3,3,6,6-tetramethyloct-4-yne-2,7-disulfonic acid CAS Name: 3,3,6,6-tetramethyl-4-octyne-2,7-disulfonic acid IUPAC Name: 3,3,6,6-tetramethyloct-4-yne-2,7-disulfonic acid Traditional Name: 3,3,6,6-tetramethyloct-4-yne-2,7-disulfonic acid Formula: C12H22O6S2 MolecularWeight: 326.42948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C#CC(C)(C)C(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C(C)(C)C#CC(C)(C)C(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H22O6S2/c1-9(19(13,14)15)11(3,4)7-8-12(5,6)10(2)20(16,17)18/h9-10H,1-6H3,(H,13,14,15)(H,16,17,18)