sodium 4-[7-[methyl(octanoyl)amino]heptanoyloxy]benzenesulfonate

Systemtic Name: sodium 4-[7-[methyl(octanoyl)amino]heptanoyloxy]benzenesulfonate Openeye Name: sodium 4-[7-[methyl(octanoyl)amino]heptanoyloxy]benzenesulfonate CAS Name: sodium 4-[7-[methyl(1-oxooctyl)amino]-1-oxoheptoxy]benzenesulfonate IUPAC Name: sodium 4-[7-[methyl(octanoyl)amino]heptanoyloxy]benzenesulfonate Traditional Name: sodium 4-[7-[caprylyl(methyl)amino]heptanoyloxy]besylate Formula: C22H34NNaO6S MolecularWeight: 463.56323

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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-].[Na+]

Isomeric SMILES

CCCCCCCC(=O)N(C)CCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H35NO6S.Na/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);/q;+1/p-1