2,5-dimethylhex-3-yne-1,6-disulfonic acid

Systemtic Name: 2,5-dimethylhex-3-yne-1,6-disulfonic acid Openeye Name: 2,5-dimethylhex-3-yne-1,6-disulfonic acid CAS Name: 2,5-dimethyl-3-hexyne-1,6-disulfonic acid IUPAC Name: 2,5-dimethylhex-3-yne-1,6-disulfonic acid Traditional Name: 2,5-dimethylhex-3-yne-1,6-disulfonic acid Formula: C8H14O6S2 MolecularWeight: 270.32316

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)O)C#CC(C)CS(=O)(=O)O

Isomeric SMILES

CC(CS(=O)(=O)O)C#CC(C)CS(=O)(=O)O

InChI

InChI=1S/C8H14O6S2/c1-7(5-15(9,10)11)3-4-8(2)6-16(12,13)14/h7-8H,5-6H2,1-2H3,(H,9,10,11)(H,12,13,14)