4-(2-hydroxyethyl)-1-[2,4,6-tris(bromanyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-(2-hydroxyethyl)-1-[2,4,6-tris(bromanyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 4-(2-hydroxyethyl)-1-(2,4,6-tribromophenyl)pyrazole-3-carboxylic acid CAS Name: 4-(2-hydroxyethyl)-1-(2,4,6-tribromophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(2-hydroxyethyl)-1-(2,4,6-tribromophenyl)pyrazole-3-carboxylic acid Traditional Name: 4-(2-hydroxyethyl)-1-(2,4,6-tribromophenyl)pyrazole-3-carboxylic acid Formula: C12H9Br3N2O3 MolecularWeight: 468.92346

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)N2C=C(C(=N2)C(=O)O)CCO)Br)Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)N2C=C(C(=N2)C(=O)O)CCO)Br)Br

InChI

InChI=1S/C12H9Br3N2O3/c13-7-3-8(14)11(9(15)4-7)17-5-6(1-2-18)10(16-17)12(19)20/h3-5,18H,1-2H2,(H,19,20)