5-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid

Systemtic Name: 5-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid Openeye Name: 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxy-benzenesulfonic acid CAS Name: 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid IUPAC Name: 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid Traditional Name: 5-(5-keto-3-methyl-2-pyrazolin-1-yl)-2-phenoxy-besylic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C16H14N2O5S/c1-11-9-16(19)18(17-11)12-7-8-14(15(10-12)24(20,21)22)23-13-5-3-2-4-6-13/h2-8,10H,9H2,1H3,(H,20,21,22)