2-[7-(carboxymethylsulfanyl)-5,8-bis(oxidanylidene)quinolin-6-yl]sulfanylethanoic acid

Systemtic Name: 2-[7-(carboxymethylsulfanyl)-5,8-bis(oxidanylidene)quinolin-6-yl]sulfanylethanoic acid Openeye Name: 2-[[7-(carboxymethylsulfanyl)-5,8-dioxo-6-quinolyl]sulfanyl]acetic acid CAS Name: 2-[[7-(carboxymethylthio)-5,8-dioxo-6-quinolinyl]thio]acetic acid IUPAC Name: 2-[7-(carboxymethylsulfanyl)-5,8-dioxoquinolin-6-yl]sulfanylacetic acid Traditional Name: 2-[[7-(carboxymethylthio)-5,8-diketo-6-quinolyl]thio]acetic acid Formula: C13H9NO6S2 MolecularWeight: 339.34366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)C(=C(C2=O)SCC(=O)O)SCC(=O)O)N=C1

Isomeric SMILES

C1=CC2=C(C(=O)C(=C(C2=O)SCC(=O)O)SCC(=O)O)N=C1

InChI

InChI=1S/C13H9NO6S2/c15-7(16)4-21-12-10(19)6-2-1-3-14-9(6)11(20)13(12)22-5-8(17)18/h1-3H,4-5H2,(H,15,16)(H,17,18)