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

Systemtic Name: 4-[6-(2-methyloctanoylamino)hexanoyloxy]benzenesulfonic acid Openeye Name: 4-[6-(2-methyloctanoylamino)hexanoyloxy]benzenesulfonic acid CAS Name: 4-[6-[(2-methyl-1-oxooctyl)amino]-1-oxohexoxy]benzenesulfonic acid IUPAC Name: 4-[6-(2-methyloctanoylamino)hexanoyloxy]benzenesulfonic acid Traditional Name: 4-[6-(2-methyloctanoylamino)hexanoyloxy]besylic acid Formula: C21H33NO6S MolecularWeight: 427.55482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO6S/c1-3-4-5-7-10-17(2)21(24)22-16-9-6-8-11-20(23)28-18-12-14-19(15-13-18)29(25,26)27/h12-15,17H,3-11,16H2,1-2H3,(H,22,24)(H,25,26,27)