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

Systemtic Name: 4-chloranyl-6,6-bis[(4-iodanyl-2-methyl-phenyl)amino]cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 4-chloro-6,6-bis(4-iodo-2-methyl-anilino)cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 4-chloro-6,6-bis(4-iodo-2-methylanilino)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 4-chloro-6,6-bis(4-iodo-2-methylanilino)cyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 4-chloro-6,6-bis(4-iodo-2-methyl-anilino)cyclohexa-2,4-diene-1-carboxylic acid Formula: C21H19ClI2N2O2 MolecularWeight: 620.6497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2(C=C(C=CC2C(=O)O)Cl)NC3=C(C=C(C=C3)I)C

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2(C=C(C=CC2C(=O)O)Cl)NC3=C(C=C(C=C3)I)C

InChI

InChI=1S/C21H19ClI2N2O2/c1-12-9-15(23)4-7-18(12)25-21(11-14(22)3-6-17(21)20(27)28)26-19-8-5-16(24)10-13(19)2/h3-11,17,25-26H,1-2H3,(H,27,28)