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

Systemtic Name: 2-azanyl-4-(3-azanyl-4-carboxy-phenyl)sulfanyl-benzoic acid Openeye Name: 2-amino-4-(3-amino-4-carboxy-phenyl)sulfanyl-benzoic acid CAS Name: 2-amino-4-[(3-amino-4-carboxyphenyl)thio]benzoic acid IUPAC Name: 2-amino-4-(3-amino-4-carboxyphenyl)sulfanylbenzoic acid Traditional Name: 2-amino-4-[(3-amino-4-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)C(=O)O)N)N)C(=O)O

Isomeric SMILES

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

InChI

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