2-azanyl-5-(4-azanyl-3-carboxy-phenyl)sulfanyl-benzoic acid

Systemtic Name: 2-azanyl-5-(4-azanyl-3-carboxy-phenyl)sulfanyl-benzoic acid Openeye Name: 2-amino-5-(4-amino-3-carboxy-phenyl)sulfanyl-benzoic acid CAS Name: 2-amino-5-[(4-amino-3-carboxyphenyl)thio]benzoic acid IUPAC Name: 2-amino-5-(4-amino-3-carboxyphenyl)sulfanylbenzoic acid Traditional Name: 2-amino-5-[(4-amino-3-carboxy-phenyl)thio]benzoic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1SC2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N

InChI

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