4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonic acid

Systemtic Name: 4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonic acid Openeye Name: 4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonic acid CAS Name: 4-[6-[(2-ethyl-1-oxohexyl)amino]-1-oxohexoxy]benzenesulfonic acid IUPAC Name: 4-[6-(2-ethylhexanoylamino)hexanoyloxy]benzenesulfonic acid Traditional Name: 4-[6-(2-ethylhexanoylamino)hexanoyloxy]besylic acid Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO6S/c1-3-5-9-16(4-2)20(23)21-15-8-6-7-10-19(22)27-17-11-13-18(14-12-17)28(24,25)26/h11-14,16H,3-10,15H2,1-2H3,(H,21,23)(H,24,25,26)