3-[(5-carboxy-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanyl-benzoic acid

Systemtic Name: 3-[(5-carboxy-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanyl-benzoic acid Openeye Name: 3-[(5-carboxy-2-hydroxy-phenyl)carbamothioylamino]-4-hydroxy-benzoic acid CAS Name: 3-[[(5-carboxy-2-hydroxyanilino)-sulfanylidenemethyl]amino]-4-hydroxybenzoic acid IUPAC Name: 3-[(5-carboxy-2-hydroxyphenyl)carbamothioylamino]-4-hydroxybenzoic acid Traditional Name: 3-[(5-carboxy-2-hydroxy-phenyl)thiocarbamoylamino]-4-hydroxy-benzoic acid Formula: C15H12N2O6S MolecularWeight: 348.33058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)O)O

InChI

InChI=1S/C15H12N2O6S/c18-11-3-1-7(13(20)21)5-9(11)16-15(24)17-10-6-8(14(22)23)2-4-12(10)19/h1-6,18-19H,(H,20,21)(H,22,23)(H2,16,17,24)