3-fluoranyl-3-iodanyl-6,6-bis[(4-iodanyl-2-methyl-phenyl)amino]cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-fluoranyl-3-iodanyl-6,6-bis[(4-iodanyl-2-methyl-phenyl)amino]cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-fluoro-3-iodo-6,6-bis(4-iodo-2-methyl-anilino)cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-fluoro-3-iodo-6,6-bis(4-iodo-2-methylanilino)-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-fluoro-3-iodo-6,6-bis(4-iodo-2-methylanilino)cyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-fluoro-3-iodo-6,6-bis(4-iodo-2-methyl-anilino)cyclohexa-1,4-diene-1-carboxylic acid Formula: C21H18FI3N2O2 MolecularWeight: 730.091633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2(C=CC(C=C2C(=O)O)(F)I)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2(C=CC(C=C2C(=O)O)(F)I)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C21H18FI3N2O2/c1-12-9-14(23)3-5-17(12)26-21(27-18-6-4-15(24)10-13(18)2)8-7-20(22,25)11-16(21)19(28)29/h3-11,26-27H,1-2H3,(H,28,29)