sodium 2-heptanoyloxybenzenesulfonate

Systemtic Name: sodium 2-heptanoyloxybenzenesulfonate Openeye Name: sodium 2-heptanoyloxybenzenesulfonate CAS Name: sodium 2-(1-oxoheptoxy)benzenesulfonate IUPAC Name: sodium 2-heptanoyloxybenzenesulfonate Traditional Name: sodium 2-enanthyloxybesylate Formula: C13H17NaO5S MolecularWeight: 308.32585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H18O5S.Na/c1-2-3-4-5-10-13(14)18-11-8-6-7-9-12(11)19(15,16)17;/h6-9H,2-5,10H2,1H3,(H,15,16,17);/q;+1/p-1