2-[4-(2-hydroxyethylsulfonyl)phenyl]-6,7-dinitro-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[4-(2-hydroxyethylsulfonyl)phenyl]-6,7-dinitro-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[4-(2-hydroxyethylsulfonyl)phenyl]-6,7-dinitro-benzo[de]isoquinoline-1,3-dione CAS Name: 2-[4-(2-hydroxyethylsulfonyl)phenyl]-6,7-dinitrobenzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[4-(2-hydroxyethylsulfonyl)phenyl]-6,7-dinitrobenzo[de]isoquinoline-1,3-dione Traditional Name: 2-[4-(2-hydroxyethylsulfonyl)phenyl]-6,7-dinitro-benzo[de]isoquinoline-1,3-quinone Formula: C20H13N3O9S MolecularWeight: 471.39692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)S(=O)(=O)CCO

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C4C(=CC=C(C4=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2=O)S(=O)(=O)CCO

InChI

InChI=1S/C20H13N3O9S/c24-9-10-33(31,32)12-3-1-11(2-4-12)21-19(25)13-5-7-15(22(27)28)18-16(23(29)30)8-6-14(17(13)18)20(21)26/h1-8,24H,9-10H2