2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-7H-purin-6-olate

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-7H-purin-6-olate Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-7H-purin-6-olate CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-7H-purin-6-olate IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-7H-purin-6-olate Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-7H-purin-6-olate Formula: C13H9N4O4S- MolecularWeight: 317.29996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)CSC2=NC3=C(C(=N2)[O-])NC=N3)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)CSC2=NC3=C(C(=N2)[O-])NC=N3)O)O

InChI

InChI=1S/C13H10N4O4S/c18-7-2-1-6(3-8(7)19)9(20)4-22-13-16-11-10(12(21)17-13)14-5-15-11/h1-3,5,18-19H,4H2,(H2,14,15,16,17,21)/p-1