dipotassium 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]propanedioate

Systemtic Name: dipotassium 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]propanedioate Openeye Name: dipotassium 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]propanedioate CAS Name: dipotassium 2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]propanedioate IUPAC Name: dipotassium 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]propanedioate Traditional Name: dipotassium 2-(2-phthalimidoethylthio)malonate Formula: C13H9K2NO6S MolecularWeight: 385.47526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC(C(=O)[O-])C(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC(C(=O)[O-])C(=O)[O-].[K+].[K+]

InChI

InChI=1S/C13H11NO6S.2K/c15-10-7-3-1-2-4-8(7)11(16)14(10)5-6-21-9(12(17)18)13(19)20;;/h1-4,9H,5-6H2,(H,17,18)(H,19,20);;/q;2*+1/p-2