3-(dioxidanyl)-2-(4-nitrophenyl)-3H-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-(dioxidanyl)-2-(4-nitrophenyl)-3H-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-hydroperoxy-2-(4-nitrophenyl)-3H-1,2-benzothiazole 1,1-dioxide CAS Name: 3-hydroperoxy-2-(4-nitrophenyl)-3H-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-hydroperoxy-2-(4-nitrophenyl)-3H-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-hydroperoxy-2-(4-nitrophenyl)-3H-1,2-benzothiazole 1,1-dioxide Formula: C13H10N2O6S MolecularWeight: 322.2933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(S2(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])OO

Isomeric SMILES

C1=CC=C2C(=C1)C(N(S2(=O)=O)C3=CC=C(C=C3)[N+](=O)[O-])OO

InChI

InChI=1S/C13H10N2O6S/c16-15(17)10-7-5-9(6-8-10)14-13(21-18)11-3-1-2-4-12(11)22(14,19)20/h1-8,13,18H