(5-azanyl-2-oxidanyl-phenyl)carbonyl 5-azanyl-2-oxidanyl-benzoate; 2-sulfanylethyl hydrogen sulfate

Systemtic Name: (5-azanyl-2-oxidanyl-phenyl)carbonyl 5-azanyl-2-oxidanyl-benzoate; 2-sulfanylethyl hydrogen sulfate Openeye Name: (5-amino-2-hydroxy-benzoyl) 5-amino-2-hydroxy-benzoate; 2-sulfanylethyl hydrogen sulfate CAS Name: 5-amino-2-hydroxybenzoic acid [(5-amino-2-hydroxyphenyl)-oxomethyl] ester; sulfuric acid 2-mercaptoethyl ester IUPAC Name: (5-amino-2-hydroxybenzoyl) 5-amino-2-hydroxybenzoate; 2-sulfanylethyl hydrogen sulfate Traditional Name: 5-amino-2-hydroxy-benzoic acid (5-amino-2-hydroxy-benzoyl) ester; sulfuric acid 2-mercaptoethyl ester Formula: C16H18N2O9S2 MolecularWeight: 446.45212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)OC(=O)C2=C(C=CC(=C2)N)O)O.C(CS)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)OC(=O)C2=C(C=CC(=C2)N)O)O.C(CS)OS(=O)(=O)O

InChI

InChI=1S/C14H12N2O5.C2H6O4S2/c15-7-1-3-11(17)9(5-7)13(19)21-14(20)10-6-8(16)2-4-12(10)18;3-8(4,5)6-1-2-7/h1-6,17-18H,15-16H2;7H,1-2H2,(H,3,4,5)