sodium 4-[6-(octanoylamino)hexanoyloxy]benzenesulfonate

Systemtic Name: sodium 4-[6-(octanoylamino)hexanoyloxy]benzenesulfonate Openeye Name: sodium 4-[6-(octanoylamino)hexanoyloxy]benzenesulfonate CAS Name: sodium 4-[1-oxo-6-(1-oxooctylamino)hexoxy]benzenesulfonate IUPAC Name: sodium 4-[6-(octanoylamino)hexanoyloxy]benzenesulfonate Traditional Name: sodium 4-[6-(caprylylamino)hexanoyloxy]besylate Formula: C20H30NNaO6S MolecularWeight: 435.51007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO6S.Na/c1-2-3-4-5-7-10-19(22)21-16-9-6-8-11-20(23)27-17-12-14-18(15-13-17)28(24,25)26;/h12-15H,2-11,16H2,1H3,(H,21,22)(H,24,25,26);/q;+1/p-1