4-[5-(3-methoxyphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=O)N(N2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

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