4,6-dinitro-1,1-bis(oxidanylidene)-2-phenyl-1,2-benzothiazol-3-one

Systemtic Name: 4,6-dinitro-1,1-bis(oxidanylidene)-2-phenyl-1,2-benzothiazol-3-one Openeye Name: 4,6-dinitro-1,1-dioxo-2-phenyl-1,2-benzothiazol-3-one CAS Name: 4,6-dinitro-1,1-dioxo-2-phenyl-1,2-benzothiazol-3-one IUPAC Name: 4,6-dinitro-1,1-dioxo-2-phenyl-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-4,6-dinitro-2-phenyl-1,2-benzothiazol-3-one Formula: C13H7N3O7S MolecularWeight: 349.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3S2(=O)=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3S2(=O)=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H7N3O7S/c17-13-12-10(16(20)21)6-9(15(18)19)7-11(12)24(22,23)14(13)8-4-2-1-3-5-8/h1-7H