2-[[3-[3-methyl-2,5-bis(oxidanylidene)pyrazol-2-ium-1-yl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-[3-methyl-2,5-bis(oxidanylidene)pyrazol-2-ium-1-yl]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-(3-methyl-2,5-dioxo-pyrazol-2-ium-1-yl)phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-(3-methyl-2,5-dioxo-1-pyrazol-2-iumyl)phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-(3-methyl-2,5-dioxopyrazol-2-ium-1-yl)phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-(2,5-diketo-3-methyl-3-pyrazolin-2-ium-1-yl)phenyl]sulfonylamino]benzoic acid Formula: C17H14N3O6S+ MolecularWeight: 388.37456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N([N+]1=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC(=O)N([N+]1=O)C2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13N3O6S/c1-11-9-16(21)19(20(11)24)12-5-4-6-13(10-12)27(25,26)18-15-8-3-2-7-14(15)17(22)23/h2-10,18H,1H3/p+1