sodium 4-heptanoyloxybenzenesulfonate

Systemtic Name: sodium 4-heptanoyloxybenzenesulfonate Openeye Name: sodium 4-heptanoyloxybenzenesulfonate CAS Name: sodium 4-(1-oxoheptoxy)benzenesulfonate IUPAC Name: sodium 4-heptanoyloxybenzenesulfonate Traditional Name: sodium 4-enanthyloxybesylate Formula: C13H17NaO5S MolecularWeight: 308.32585

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H18O5S.Na/c1-2-3-4-5-6-13(14)18-11-7-9-12(10-8-11)19(15,16)17;/h7-10H,2-6H2,1H3,(H,15,16,17);/q;+1/p-1