[[4-[[2,5-bis(chloranyl)-4-fluorosulfonyl-phenyl]diazenyl]-3-methyl-phenyl]-ethyl-amino]methyl benzoate

Systemtic Name: [[4-[[2,5-bis(chloranyl)-4-fluorosulfonyl-phenyl]diazenyl]-3-methyl-phenyl]-ethyl-amino]methyl benzoate Openeye Name: [4-(2,5-dichloro-4-fluorosulfonyl-phenyl)azo-N-ethyl-3-methyl-anilino]methyl benzoate CAS Name: benzoic acid [4-(2,5-dichloro-4-fluorosulfonylphenyl)azo-N-ethyl-3-methylanilino]methyl ester IUPAC Name: [4-[(2,5-dichloro-4-fluorosulfonylphenyl)diazenyl]-N-ethyl-3-methylanilino]methyl benzoate Traditional Name: benzoic acid [4-(2,5-dichloro-4-fluorosulfonyl-phenyl)azo-N-ethyl-3-methyl-anilino]methyl ester Formula: C23H20Cl2FN3O4S MolecularWeight: 524.392003

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Descriptors Computed from Structure

Canonical SMILES:

CCN(COC(=O)C1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=CC(=C(C=C3Cl)S(=O)(=O)F)Cl)C

Isomeric SMILES

CCN(COC(=O)C1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=CC(=C(C=C3Cl)S(=O)(=O)F)Cl)C

InChI

InChI=1S/C23H20Cl2FN3O4S/c1-3-29(14-33-23(30)16-7-5-4-6-8-16)17-9-10-20(15(2)11-17)27-28-21-12-19(25)22(13-18(21)24)34(26,31)32/h4-13H,3,14H2,1-2H3