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

Systemtic Name: sodium 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyloxy]benzenesulfonate Openeye Name: sodium 2-[3-(1,3-dioxoisoindolin-2-yl)butanoyloxy]benzenesulfonate CAS Name: sodium 2-[3-(1,3-dioxo-2-isoindolyl)-1-oxobutoxy]benzenesulfonate IUPAC Name: sodium 2-[3-(1,3-dioxoisoindol-2-yl)butanoyloxy]benzenesulfonate Traditional Name: sodium 2-(3-phthalimidobutanoyloxy)besylate Formula: C18H14NNaO7S MolecularWeight: 411.36103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO7S.Na/c1-11(19-17(21)12-6-2-3-7-13(12)18(19)22)10-16(20)26-14-8-4-5-9-15(14)27(23,24)25;/h2-9,11H,10H2,1H3,(H,23,24,25);/q;+1/p-1