3,4-bis(2-hydroxyethylsulfanyl)-1-[4-(4-nitrophenyl)phenyl]pyrrole-2,5-dione

Systemtic Name: 3,4-bis(2-hydroxyethylsulfanyl)-1-[4-(4-nitrophenyl)phenyl]pyrrole-2,5-dione Openeye Name: 3,4-bis(2-hydroxyethylsulfanyl)-1-[4-(4-nitrophenyl)phenyl]pyrrole-2,5-dione CAS Name: 3,4-bis(2-hydroxyethylthio)-1-[4-(4-nitrophenyl)phenyl]pyrrole-2,5-dione IUPAC Name: 3,4-bis(2-hydroxyethylsulfanyl)-1-[4-(4-nitrophenyl)phenyl]pyrrole-2,5-dione Traditional Name: 3,4-bis(2-hydroxyethylthio)-1-[4-(4-nitrophenyl)phenyl]-3-pyrroline-2,5-quinone Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C(=C(C3=O)SCCO)SCCO

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C(=C(C3=O)SCCO)SCCO

InChI

InChI=1S/C20H18N2O6S2/c23-9-11-29-17-18(30-12-10-24)20(26)21(19(17)25)15-5-1-13(2-6-15)14-3-7-16(8-4-14)22(27)28/h1-8,23-24H,9-12H2