3-[[5-[3-[bis[2,3-bis(oxidanyl)propyl]amino]-4-oxidanyl-phenyl]arsanylidenearsanyl-1,3-benzoxazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[5-[3-[bis[2,3-bis(oxidanyl)propyl]amino]-4-oxidanyl-phenyl]arsanylidenearsanyl-1,3-benzoxazol-2-yl]sulfanyl]propanoic acid Openeye Name: 3-[[5-[3-[bis(2,3-dihydroxypropyl)amino]-4-hydroxy-phenyl]arsanylidenearsanyl-1,3-benzoxazol-2-yl]sulfanyl]propanoic acid CAS Name: 3-[[5-[3-[bis(2,3-dihydroxypropyl)amino]-4-hydroxyphenyl]arsinylidenearsinyl-1,3-benzoxazol-2-yl]thio]propanoic acid IUPAC Name: 3-[[5-[3-[bis(2,3-dihydroxypropyl)amino]-4-hydroxyphenyl]arsanylidenearsanyl-1,3-benzoxazol-2-yl]sulfanyl]propanoic acid Traditional Name: 3-[[5-[3-(diglycerylamino)-4-hydroxy-phenyl]arsinylidenearsinyl-1,3-benzoxazol-2-yl]thio]propionic acid Formula: C22H26As2N2O8S MolecularWeight: 628.35864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[As]=[As]C2=CC3=C(C=C2)OC(=N3)SCCC(=O)O)N(CC(CO)O)CC(CO)O)O

Isomeric SMILES

C1=CC(=C(C=C1[As]=[As]C2=CC3=C(C=C2)OC(=N3)SCCC(=O)O)N(CC(CO)O)CC(CO)O)O

InChI

InChI=1S/C22H26As2N2O8S/c27-11-15(29)9-26(10-16(30)12-28)18-8-14(1-3-19(18)31)24-23-13-2-4-20-17(7-13)25-22(34-20)35-6-5-21(32)33/h1-4,7-8,15-16,27-31H,5-6,9-12H2,(H,32,33)