4-[7-[methyl(octanoyl)amino]heptanoyloxy]benzenesulfonic acid

Systemtic Name: 4-[7-[methyl(octanoyl)amino]heptanoyloxy]benzenesulfonic acid Openeye Name: 4-[7-[methyl(octanoyl)amino]heptanoyloxy]benzenesulfonic acid CAS Name: 4-[7-[methyl(1-oxooctyl)amino]-1-oxoheptoxy]benzenesulfonic acid IUPAC Name: 4-[7-[methyl(octanoyl)amino]heptanoyloxy]benzenesulfonic acid Traditional Name: 4-[7-[caprylyl(methyl)amino]heptanoyloxy]besylic acid Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(C)CCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCC(=O)N(C)CCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C22H35NO6S/c1-3-4-5-6-9-12-21(24)23(2)18-11-8-7-10-13-22(25)29-19-14-16-20(17-15-19)30(26,27)28/h14-17H,3-13,18H2,1-2H3,(H,26,27,28)