2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]propanedioic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]propanedioic acid Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]propanedioic acid CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]propanedioic acid IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]propanedioic acid Traditional Name: 2-(phthalimidomethylthio)malonic acid Formula: C12H9NO6S MolecularWeight: 295.26796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC(C(=O)O)C(=O)O

InChI

InChI=1S/C12H9NO6S/c14-9-6-3-1-2-4-7(6)10(15)13(9)5-20-8(11(16)17)12(18)19/h1-4,8H,5H2,(H,16,17)(H,18,19)