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

Systemtic Name: 4-[[2-(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylselanylphenyl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(3-amino-4-hydroxy-4-oxo-butyl)sulfanylselanylbenzoyl]amino]benzoic acid CAS Name: 4-[[[2-[[(3-amino-4-hydroxy-4-oxobutyl)thio]seleno]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-amino-4-hydroxy-4-oxobutyl)sulfanylselanylbenzoyl]amino]benzoic acid Traditional Name: 4-[[2-[[(3-amino-4-hydroxy-4-keto-butyl)thio]seleno]benzoyl]amino]benzoic acid Formula: C18H18N2O5SSe MolecularWeight: 453.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5SSe/c19-14(18(24)25)9-10-26-27-15-4-2-1-3-13(15)16(21)20-12-7-5-11(6-8-12)17(22)23/h1-8,14H,9-10,19H2,(H,20,21)(H,22,23)(H,24,25)