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

Systemtic Name: sodium 2-nonanoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate Openeye Name: sodium 2-nonanoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate CAS Name: sodium 2-(1-oxononyl)-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate IUPAC Name: sodium 2-nonanoyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate Traditional Name: sodium 2-pelargonyl-7-oxabicyclo[4.1.0]hepta-1,3,5-triene-5-sulfonate Formula: C15H19NaO5S MolecularWeight: 334.36313

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20O5S.Na/c1-2-3-4-5-6-7-8-12(16)11-9-10-13(21(17,18)19)15-14(11)20-15;/h9-10H,2-8H2,1H3,(H,17,18,19);/q;+1/p-1