[5-[3-[2,3-bis(oxidanyl)propyl-(3-oxidanyl-2-oxidanylidene-propyl)amino]-4-oxidanyl-phenyl]-2-(2-carboxyethylsulfanyl)-4-$l^{1}-arsanyl-1,3-benzoxazol-6-yl]arsenic

Systemtic Name: [5-[3-[2,3-bis(oxidanyl)propyl-(3-oxidanyl-2-oxidanylidene-propyl)amino]-4-oxidanyl-phenyl]-2-(2-carboxyethylsulfanyl)-4-$l^{1}-arsanyl-1,3-benzoxazol-6-yl]arsenic Openeye Name: [2-(2-carboxyethylsulfanyl)-5-[3-[2,3-dihydroxypropyl-(3-hydroxy-2-oxo-propyl)amino]-4-hydroxy-phenyl]-4-$l^{1}-arsanyl-1,3-benzoxazol-6-yl]arsenic CAS Name: [2-(2-carboxyethylthio)-5-[3-[2,3-dihydroxypropyl-(3-hydroxy-2-oxopropyl)amino]-4-hydroxyphenyl]-4-$l^{1}-arsinyl-1,3-benzoxazol-6-yl]arsenic IUPAC Name: [2-(2-carboxyethylsulfanyl)-5-[3-[2,3-dihydroxypropyl-(3-hydroxy-2-oxopropyl)amino]-4-hydroxyphenyl]-4-$l^{1}-arsanyl-1,3-benzoxazol-6-yl]arsenic Traditional Name: [2-(2-carboxyethylthio)-5-[3-[glyceryl-(3-hydroxy-2-keto-propyl)amino]-4-hydroxy-phenyl]-4-$l^{1}-arsinyl-1,3-benzoxazol-6-yl]arsenic Formula: C22H22As2N2O8S MolecularWeight: 624.32688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C=C3C(=C2[As])N=C(O3)SCCC(=O)O)[As])N(CC(CO)O)CC(=O)CO)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C=C3C(=C2[As])N=C(O3)SCCC(=O)O)[As])N(CC(CO)O)CC(=O)CO)O

InChI

InChI=1S/C22H22As2N2O8S/c23-14-6-17-21(25-22(34-17)35-4-3-18(32)33)20(24)19(14)11-1-2-16(31)15(5-11)26(7-12(29)9-27)8-13(30)10-28/h1-2,5-6,12,27-29,31H,3-4,7-10H2,(H,32,33)