5-(2,6-dimethoxyphenyl)-1-(2-propan-2-yl-4-sulfo-phenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,6-dimethoxyphenyl)-1-(2-propan-2-yl-4-sulfo-phenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,6-dimethoxyphenyl)-1-(2-isopropyl-4-sulfo-phenyl)pyrazole-3-carboxylic acid CAS Name: 5-(2,6-dimethoxyphenyl)-1-(2-propan-2-yl-4-sulfophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,6-dimethoxyphenyl)-1-(2-propan-2-yl-4-sulfophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,6-dimethoxyphenyl)-1-(2-isopropyl-4-sulfo-phenyl)pyrazole-3-carboxylic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)S(=O)(=O)O)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)S(=O)(=O)O)N2C(=CC(=N2)C(=O)O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H22N2O7S/c1-12(2)14-10-13(31(26,27)28)8-9-16(14)23-17(11-15(22-23)21(24)25)20-18(29-3)6-5-7-19(20)30-4/h5-12H,1-4H3,(H,24,25)(H,26,27,28)