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

Systemtic Name: 4-[6-(decanoylamino)hexanoyl]benzenesulfonic acid Openeye Name: 4-[6-(decanoylamino)hexanoyl]benzenesulfonic acid CAS Name: 4-[1-oxo-6-(1-oxodecylamino)hexyl]benzenesulfonic acid IUPAC Name: 4-[6-(decanoylamino)hexanoyl]benzenesulfonic acid Traditional Name: 4-[6-(caprylamino)hexanoyl]besylic acid Formula: C22H35NO5S MolecularWeight: 425.582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO5S/c1-2-3-4-5-6-7-10-13-22(25)23-18-11-8-9-12-21(24)19-14-16-20(17-15-19)29(26,27)28/h14-17H,2-13,18H2,1H3,(H,23,25)(H,26,27,28)