4-[6-(octanoylamino)hexanoyl]benzenesulfonate

Systemtic Name: 4-[6-(octanoylamino)hexanoyl]benzenesulfonate Openeye Name: 4-[6-(octanoylamino)hexanoyl]benzenesulfonate CAS Name: 4-[1-oxo-6-(1-oxooctylamino)hexyl]benzenesulfonate IUPAC Name: 4-[6-(octanoylamino)hexanoyl]benzenesulfonate Traditional Name: 4-[6-(caprylylamino)hexanoyl]besylate Formula: C20H30NO5S- MolecularWeight: 396.5209

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCCCCC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)NCCCCCC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H31NO5S/c1-2-3-4-5-8-11-20(23)21-16-9-6-7-10-19(22)17-12-14-18(15-13-17)27(24,25)26/h12-15H,2-11,16H2,1H3,(H,21,23)(H,24,25,26)/p-1