2-(1-oxidanylidene-3-sulfanylidene-isoindol-2-yl)pentanedioic acid

Systemtic Name: 2-(1-oxidanylidene-3-sulfanylidene-isoindol-2-yl)pentanedioic acid Openeye Name: 2-(1-oxo-3-thioxo-isoindolin-2-yl)pentanedioic acid CAS Name: 2-(1-oxo-3-sulfanylidene-2-isoindolyl)pentanedioic acid IUPAC Name: 2-(1-oxo-3-sulfanylideneisoindol-2-yl)pentanedioic acid Traditional Name: 2-(1-keto-3-thioxo-isoindolin-2-yl)glutaric acid Formula: C13H11NO5S MolecularWeight: 293.29514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=S)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=S)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H11NO5S/c15-10(16)6-5-9(13(18)19)14-11(17)7-3-1-2-4-8(7)12(14)20/h1-4,9H,5-6H2,(H,15,16)(H,18,19)