sodium 5-acetyloxypent-4-yne-1-sulfonate

Systemtic Name: sodium 5-acetyloxypent-4-yne-1-sulfonate Openeye Name: sodium 5-acetoxypent-4-yne-1-sulfonate CAS Name: sodium 5-acetyloxy-4-pentyne-1-sulfonate IUPAC Name: sodium 5-acetyloxypent-4-yne-1-sulfonate Traditional Name: sodium 5-acetoxypent-4-yne-1-sulfonate Formula: C7H9NaO5S MolecularWeight: 228.19813

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC#CCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OC#CCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C7H10O5S.Na/c1-7(8)12-5-3-2-4-6-13(9,10)11;/h2,4,6H2,1H3,(H,9,10,11);/q;+1/p-1