2-[4-(4-nitrophenyl)carbonyloxyphenyl]-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoic acid

Systemtic Name: 2-[4-(4-nitrophenyl)carbonyloxyphenyl]-3-(2-nitrophenyl)sulfanyl-2-oxidanyl-propanoic acid Openeye Name: 2-hydroxy-2-[4-(4-nitrobenzoyl)oxyphenyl]-3-(2-nitrophenyl)sulfanyl-propanoic acid CAS Name: 2-hydroxy-2-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]-3-[(2-nitrophenyl)thio]propanoic acid IUPAC Name: 2-hydroxy-2-[4-(4-nitrobenzoyl)oxyphenyl]-3-(2-nitrophenyl)sulfanylpropanoic acid Traditional Name: 2-hydroxy-2-[4-(4-nitrobenzoyl)oxyphenyl]-3-[(2-nitrophenyl)thio]propionic acid Formula: C22H16N2O9S MolecularWeight: 484.43544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C(=O)O)O

InChI

InChI=1S/C22H16N2O9S/c25-20(14-5-9-16(10-6-14)23(29)30)33-17-11-7-15(8-12-17)22(28,21(26)27)13-34-19-4-2-1-3-18(19)24(31)32/h1-12,28H,13H2,(H,26,27)