sodium 7-(oxan-2-yloxy)hept-5-ynoate

Systemtic Name: sodium 7-(oxan-2-yloxy)hept-5-ynoate Openeye Name: sodium 7-tetrahydropyran-2-yloxyhept-5-ynoate CAS Name: sodium 7-(2-oxanyloxy)-5-heptynoate IUPAC Name: sodium 7-(oxan-2-yloxy)hept-5-ynoate Traditional Name: sodium 7-tetrahydropyran-2-yloxyhept-5-ynoate Formula: C12H17NaO4 MolecularWeight: 248.25075

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC#CCCCC(=O)[O-].[Na+]

Isomeric SMILES

C1CCOC(C1)OCC#CCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C12H18O4.Na/c13-11(14)7-3-1-2-5-9-15-12-8-4-6-10-16-12;/h12H,1,3-4,6-10H2,(H,13,14);/q;+1/p-1