4-[[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylselanylphenyl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanylselanylphenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(2-amino-3-hydroxy-3-oxo-propyl)sulfanylselanylbenzoyl]amino]benzoic acid CAS Name: 4-[[[2-[[(2-amino-3-hydroxy-3-oxopropyl)thio]seleno]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-amino-3-hydroxy-3-oxopropyl)sulfanylselanylbenzoyl]amino]benzoic acid Traditional Name: 4-[[2-[[(2-amino-3-hydroxy-3-keto-propyl)thio]seleno]benzoyl]amino]benzoic acid Formula: C17H16N2O5SSe MolecularWeight: 439.34434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)[Se]SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)[Se]SCC(C(=O)O)N

InChI

InChI=1S/C17H16N2O5SSe/c18-13(17(23)24)9-25-26-14-4-2-1-3-12(14)15(20)19-11-7-5-10(6-8-11)16(21)22/h1-8,13H,9,18H2,(H,19,20)(H,21,22)(H,23,24)