sodium 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl sulfate

Systemtic Name: sodium 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl sulfate Openeye Name: sodium 4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl sulfate CAS Name: sodium [4-(1,3-dioxo-2-isoindolyl)butylthio] sulfate IUPAC Name: sodium 4-(1,3-dioxoisoindol-2-yl)butylsulfanyl sulfate Traditional Name: sodium (4-phthalimidobutylthio) sulfate Formula: C12H12NNaO6S2 MolecularWeight: 353.34655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSOS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSOS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H13NO6S2.Na/c14-11-9-5-1-2-6-10(9)12(15)13(11)7-3-4-8-20-19-21(16,17)18;/h1-2,5-6H,3-4,7-8H2,(H,16,17,18);/q;+1/p-1