sodium 1,6-dipropoxyhexa-1,5-diyne-3-sulfonate

Systemtic Name: sodium 1,6-dipropoxyhexa-1,5-diyne-3-sulfonate Openeye Name: sodium 1,6-dipropoxyhexa-1,5-diyne-3-sulfonate CAS Name: sodium 1,6-dipropoxy-3-hexa-1,5-diynesulfonate IUPAC Name: sodium 1,6-dipropoxyhexa-1,5-diyne-3-sulfonate Traditional Name: sodium 1,6-dipropoxyhexa-1,5-diyne-3-sulfonate Formula: C12H17NaO5S MolecularWeight: 296.31515

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC#CCC(C#COCCC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCOC#CCC(C#COCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H18O5S.Na/c1-3-8-16-10-5-6-12(18(13,14)15)7-11-17-9-4-2;/h12H,3-4,6,8-9H2,1-2H3,(H,13,14,15);/q;+1/p-1