4-[3-ethoxycarbonyl-5-(phenylcarbonyloxy)pyrazol-1-yl]benzenesulfonic acid

Systemtic Name: 4-[3-ethoxycarbonyl-5-(phenylcarbonyloxy)pyrazol-1-yl]benzenesulfonic acid Openeye Name: 4-(5-benzoyloxy-3-ethoxycarbonyl-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(5-benzoyloxy-3-ethoxycarbonyl-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(5-benzoyloxy-3-ethoxycarbonylpyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(5-benzoyloxy-3-carbethoxy-pyrazol-1-yl)besylic acid Formula: C19H16N2O7S MolecularWeight: 416.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C19H16N2O7S/c1-2-27-19(23)16-12-17(28-18(22)13-6-4-3-5-7-13)21(20-16)14-8-10-15(11-9-14)29(24,25)26/h3-12H,2H2,1H3,(H,24,25,26)