5-(2-azanyl-4-sulfo-phenyl)sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2-azanyl-4-sulfo-phenyl)sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-(2-amino-4-sulfo-phenyl)sulfonyl-2-hydroxy-benzoic acid CAS Name: 5-(2-amino-4-sulfophenyl)sulfonyl-2-hydroxybenzoic acid IUPAC Name: 5-(2-amino-4-sulfophenyl)sulfonyl-2-hydroxybenzoic acid Traditional Name: 5-(2-amino-4-sulfo-phenyl)sulfonyl-2-hydroxy-benzoic acid Formula: C13H11NO8S2 MolecularWeight: 373.35834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)O)N)C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)O)N)C(=O)O)O

InChI

InChI=1S/C13H11NO8S2/c14-10-6-8(24(20,21)22)2-4-12(10)23(18,19)7-1-3-11(15)9(5-7)13(16)17/h1-6,15H,14H2,(H,16,17)(H,20,21,22)