4-[6-(decanoylamino)hexanoyloxy]benzenesulfonic acid

Systemtic Name: 4-[6-(decanoylamino)hexanoyloxy]benzenesulfonic acid Openeye Name: 4-[6-(decanoylamino)hexanoyloxy]benzenesulfonic acid CAS Name: 4-[1-oxo-6-(1-oxodecylamino)hexoxy]benzenesulfonic acid IUPAC Name: 4-[6-(decanoylamino)hexanoyloxy]benzenesulfonic acid Traditional Name: 4-[6-(caprylamino)hexanoyloxy]besylic acid Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H35NO6S/c1-2-3-4-5-6-7-9-12-21(24)23-18-11-8-10-13-22(25)29-19-14-16-20(17-15-19)30(26,27)28/h14-17H,2-13,18H2,1H3,(H,23,24)(H,26,27,28)