2-[(3-methyl-2-oxidanidyl-1,2-oxazol-2-ium-4-yl)diazenyl]-5-nitro-benzenesulfonic acid

Systemtic Name: 2-[(3-methyl-2-oxidanidyl-1,2-oxazol-2-ium-4-yl)diazenyl]-5-nitro-benzenesulfonic acid Openeye Name: 2-(3-methyl-2-oxido-isoxazol-2-ium-4-yl)azo-5-nitro-benzenesulfonic acid CAS Name: 2-[(3-methyl-2-oxido-4-isoxazol-2-iumyl)azo]-5-nitrobenzenesulfonic acid IUPAC Name: 2-[(3-methyl-2-oxido-1,2-oxazol-2-ium-4-yl)diazenyl]-5-nitrobenzenesulfonic acid Traditional Name: 2-(3-methyl-2-oxido-isoxazol-2-ium-4-yl)azo-5-nitro-besylic acid Formula: C10H8N4O7S MolecularWeight: 328.25812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](OC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)[O-]

Isomeric SMILES

CC1=[N+](OC=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)[O-]

InChI

InChI=1S/C10H8N4O7S/c1-6-9(5-21-14(6)17)12-11-8-3-2-7(13(15)16)4-10(8)22(18,19)20/h2-5H,1H3,(H,18,19,20)