sodium 2-[[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-propan-2-yl-phenyl]carbamoyl]-4,6-bis(iodanyl)-1-oxidanyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: sodium 2-[[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-propan-2-yl-phenyl]carbamoyl]-4,6-bis(iodanyl)-1-oxidanyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: sodium 2-[[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-isopropyl-phenyl]carbamoyl]-1-hydroxy-4,6-diiodo-cyclohexa-2,4-diene-1-carboxylate CAS Name: sodium 2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-propan-2-ylanilino]-oxomethyl]-1-hydroxy-4,6-diiodo-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: sodium 2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-propan-2-ylphenyl]carbamoyl]-1-hydroxy-4,6-diiodocyclohexa-2,4-diene-1-carboxylate Traditional Name: sodium 2-[[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-isopropyl-phenyl]carbamoyl]-1-hydroxy-4,6-diiodo-cyclohexa-2,4-diene-1-carboxylate Formula: C25H19Cl2I2N2NaO4 MolecularWeight: 759.13407

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1NC(=O)C2=CC(=CC(C2(C(=O)[O-])O)I)I)Cl)C(C#N)C3=CC=C(C=C3)Cl.[Na+]

Isomeric SMILES

CC(C)C1=CC(=C(C=C1NC(=O)C2=CC(=CC(C2(C(=O)[O-])O)I)I)Cl)C(C#N)C3=CC=C(C=C3)Cl.[Na+]

InChI

InChI=1S/C25H20Cl2I2N2O4.Na/c1-12(2)16-9-17(18(11-30)13-3-5-14(26)6-4-13)20(27)10-21(16)31-23(32)19-7-15(28)8-22(29)25(19,35)24(33)34;/h3-10,12,18,22,35H,1-2H3,(H,31,32)(H,33,34);/q;+1/p-1