3-(1-sulfohex-5-yn-3-yloxy)hex-5-yne-1-sulfonic acid

Systemtic Name: 3-(1-sulfohex-5-yn-3-yloxy)hex-5-yne-1-sulfonic acid Openeye Name: 3-[1-(2-sulfoethyl)but-3-ynoxy]hex-5-yne-1-sulfonic acid CAS Name: 3-(1-sulfohex-5-yn-3-yloxy)-5-hexyne-1-sulfonic acid IUPAC Name: 3-(1-sulfohex-5-yn-3-yloxy)hex-5-yne-1-sulfonic acid Traditional Name: 3-[1-(2-sulfoethyl)but-3-ynoxy]hex-5-yne-1-sulfonic acid Formula: C12H18O7S2 MolecularWeight: 338.39712

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CCS(=O)(=O)O)OC(CCS(=O)(=O)O)CC#C

Isomeric SMILES

C#CCC(CCS(=O)(=O)O)OC(CCS(=O)(=O)O)CC#C

InChI

InChI=1S/C12H18O7S2/c1-3-5-11(7-9-20(13,14)15)19-12(6-4-2)8-10-21(16,17)18/h1-2,11-12H,5-10H2,(H,13,14,15)(H,16,17,18)