sodium 4-[2-(nonanoylamino)ethanoyloxy]benzenesulfonate

Systemtic Name: sodium 4-[2-(nonanoylamino)ethanoyloxy]benzenesulfonate Openeye Name: sodium 4-[2-(nonanoylamino)acetyl]oxybenzenesulfonate CAS Name: sodium 4-[1-oxo-2-(1-oxononylamino)ethoxy]benzenesulfonate IUPAC Name: sodium 4-[2-(nonanoylamino)acetyl]oxybenzenesulfonate Traditional Name: sodium 4-[2-(pelargonylamino)acetyl]oxybesylate Formula: C17H24NNaO6S MolecularWeight: 393.43033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO6S.Na/c1-2-3-4-5-6-7-8-16(19)18-13-17(20)24-14-9-11-15(12-10-14)25(21,22)23;/h9-12H,2-8,13H2,1H3,(H,18,19)(H,21,22,23);/q;+1/p-1