(5-azanyl-2-oxidanyl-phenyl)carbonyl 5-azanyl-2-oxidanyl-benzoate; 2,5-bis(azanyl)-5-sulfanylidene-pentanoic acid

Systemtic Name: (5-azanyl-2-oxidanyl-phenyl)carbonyl 5-azanyl-2-oxidanyl-benzoate; 2,5-bis(azanyl)-5-sulfanylidene-pentanoic acid Openeye Name: (5-amino-2-hydroxy-benzoyl) 5-amino-2-hydroxy-benzoate; 2,5-diamino-5-thioxo-pentanoic acid CAS Name: 5-amino-2-hydroxybenzoic acid [(5-amino-2-hydroxyphenyl)-oxomethyl] ester; 2,5-diamino-5-sulfanylidenepentanoic acid IUPAC Name: (5-amino-2-hydroxybenzoyl) 5-amino-2-hydroxybenzoate; 2,5-diamino-5-sulfanylidenepentanoic acid Traditional Name: 5-amino-2-hydroxy-benzoic acid (5-amino-2-hydroxy-benzoyl) ester; 2,5-diamino-5-thioxo-valeric acid Formula: C19H22N4O7S MolecularWeight: 450.46558

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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(CC(=S)N)C(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5.C5H10N2O2S/c15-7-1-3-11(17)9(5-7)13(19)21-14(20)10-6-8(16)2-4-12(10)18;6-3(5(8)9)1-2-4(7)10/h1-6,17-18H,15-16H2;3H,1-2,6H2,(H2,7,10)(H,8,9)