3-[5-chloranyl-2,4-bis(phenylmethoxy)phenyl]-4-iodanyl-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[5-chloranyl-2,4-bis(phenylmethoxy)phenyl]-4-iodanyl-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2,4-dibenzyloxy-5-chloro-phenyl)-4-iodo-1H-pyrazole-5-carboxylic acid CAS Name: 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-iodo-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-iodo-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2,4-dibenzoxy-5-chloro-phenyl)-4-iodo-1H-pyrazole-5-carboxylic acid Formula: C24H18ClIN2O4 MolecularWeight: 560.76819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2C3=NNC(=C3I)C(=O)O)Cl)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2C3=NNC(=C3I)C(=O)O)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C24H18ClIN2O4/c25-18-11-17(22-21(26)23(24(29)30)28-27-22)19(31-13-15-7-3-1-4-8-15)12-20(18)32-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,27,28)(H,29,30)