5-azanyl-2-(4-azanyl-2-carboxy-phenyl)sulfanyl-benzoic acid

Systemtic Name: 5-azanyl-2-(4-azanyl-2-carboxy-phenyl)sulfanyl-benzoic acid Openeye Name: 5-amino-2-(4-amino-2-carboxy-phenyl)sulfanyl-benzoic acid CAS Name: 5-amino-2-[(4-amino-2-carboxyphenyl)thio]benzoic acid IUPAC Name: 5-amino-2-(4-amino-2-carboxyphenyl)sulfanylbenzoic acid Traditional Name: 5-amino-2-[(4-amino-2-carboxy-phenyl)thio]benzoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)C(=O)O)SC2=C(C=C(C=C2)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)C(=O)O)SC2=C(C=C(C=C2)N)C(=O)O

InChI

InChI=1S/C14H12N2O4S/c15-7-1-3-11(9(5-7)13(17)18)21-12-4-2-8(16)6-10(12)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)