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

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

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

Canonical SMILES:

CCCCCCC(C)C(=O)NC(CCCC)C(=O)OC1=CC=CC=C1S(=O)(=O)O


Isomeric SMILES

CCCCCCC(C)C(=O)NC(CCCC)C(=O)OC1=CC=CC=C1S(=O)(=O)O


InChI

InChI=1S/C21H33NO6S/c1-4-6-8-9-12-16(3)20(23)22-17(13-7-5-2)21(24)28-18-14-10-11-15-19(18)29(25,26)27/h10-11,14-17H,4-9,12-13H2,1-3H3,(H,22,23)(H,25,26,27)


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