3-[6-(nonanoylamino)hexanoyl]-2-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid

Systemtic Name: 3-[6-(nonanoylamino)hexanoyl]-2-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid Openeye Name: 3-[6-(nonanoylamino)hexanoyl]-2-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid CAS Name: 3-[1-oxo-6-(1-oxononylamino)hexyl]-2-[1-oxo-6-(1-oxooctylamino)hexoxy]benzenesulfonic acid IUPAC Name: 3-[6-(nonanoylamino)hexanoyl]-2-[6-(octanoylamino)hexanoyloxy]benzenesulfonic acid Traditional Name: 2-[6-(caprylylamino)hexanoyloxy]-3-[6-(pelargonylamino)hexanoyl]besylic acid Formula: C35H58N2O8S MolecularWeight: 666.90862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)OC(=O)CCCCCNC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)NCCCCCC(=O)C1=C(C(=CC=C1)S(=O)(=O)O)OC(=O)CCCCCNC(=O)CCCCCCC

InChI

InChI=1S/C35H58N2O8S/c1-3-5-7-9-11-16-25-33(40)36-27-18-12-14-22-30(38)29-21-20-23-31(46(42,43)44)35(29)45-34(41)26-17-13-19-28-37-32(39)24-15-10-8-6-4-2/h20-21,23H,3-19,22,24-28H2,1-2H3,(H,36,40)(H,37,39)(H,42,43,44)