sodium 2-octanoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate

Systemtic Name: sodium 2-octanoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate Openeye Name: sodium 2-octanoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate CAS Name: sodium 2-(1-oxooctyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate IUPAC Name: sodium 2-octanoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate Traditional Name: sodium 2-caprylyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate Formula: C14H17NaO5S MolecularWeight: 320.33655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=C2C(=C(C=C1)S(=O)(=O)[O-])O2.[Na+]

Isomeric SMILES

CCCCCCCC(=O)C1=C2C(=C(C=C1)S(=O)(=O)[O-])O2.[Na+]

InChI

InChI=1S/C14H18O5S.Na/c1-2-3-4-5-6-7-11(15)10-8-9-12(20(16,17)18)14-13(10)19-14;/h8-9H,2-7H2,1H3,(H,16,17,18);/q;+1/p-1