[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C23H16INO6S MolecularWeight: 561.34571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H16INO6S/c1-13-10-15(24)7-9-18(13)25-21(26)12-31-23(28)14-6-8-17-20(11-14)32(29,30)19-5-3-2-4-16(19)22(17)27/h2-11H,12H2,1H3,(H,25,26)