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4-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid

4-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid

Systemtic Name:4-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid
Openeye Name:4-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid
CAS Name:4-[1-oxo-6-(1-oxooctylamino)hexoxy]benzenesulfonic acid
IUPAC Name:4-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid
Traditional Name:4-[6-(caprylylamino)hexanoyloxy]besylic acid
Formula: C20H31NO6S
MolecularWeight: 413.52824
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H31NO6S/c1-2-3-4-5-7-10-19(22)21-16-9-6-8-11-20(23)27-17-12-14-18(15-13-17)28(24,25)26/h12-15H,2-11,16H2,1H3,(H,21,22)(H,24,25,26)


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