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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=CC=C2OC3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=CC=C2OC3=CC=CC=C3S(=O)(=O)O

InChI

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