sodium 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoyloxy]benzenesulfonate

Systemtic Name: sodium 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoyloxy]benzenesulfonate Openeye Name: sodium 2-[2-(1,3-dioxoisoindolin-2-yl)hexanoyloxy]benzenesulfonate CAS Name: sodium 2-[2-(1,3-dioxo-2-isoindolyl)-1-oxohexoxy]benzenesulfonate IUPAC Name: sodium 2-[2-(1,3-dioxoisoindol-2-yl)hexanoyloxy]benzenesulfonate Traditional Name: sodium 2-(2-phthalimidohexanoyloxy)besylate Formula: C20H18NNaO7S MolecularWeight: 439.41419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC1=CC=CC=C1S(=O)(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.[Na+]

Isomeric SMILES

CCCCC(C(=O)OC1=CC=CC=C1S(=O)(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O.[Na+]

InChI

InChI=1S/C20H19NO7S.Na/c1-2-3-10-15(21-18(22)13-8-4-5-9-14(13)19(21)23)20(24)28-16-11-6-7-12-17(16)29(25,26)27;/h4-9,11-12,15H,2-3,10H2,1H3,(H,25,26,27);/q;+1/p-1