4-azanyl-3-(2-carboxyphenyl)sulfanyl-benzoic acid

Systemtic Name: 4-azanyl-3-(2-carboxyphenyl)sulfanyl-benzoic acid Openeye Name: 4-amino-3-(2-carboxyphenyl)sulfanyl-benzoic acid CAS Name: 4-amino-3-[(2-carboxyphenyl)thio]benzoic acid IUPAC Name: 4-amino-3-(2-carboxyphenyl)sulfanylbenzoic acid Traditional Name: 4-amino-3-[(2-carboxyphenyl)thio]benzoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4S/c15-10-6-5-8(13(16)17)7-12(10)20-11-4-2-1-3-9(11)14(18)19/h1-7H,15H2,(H,16,17)(H,18,19)