4-[[4-[(2,4-dinitrophenyl)diazenyl]-3-methyl-phenyl]-ethyl-amino]butyl 3-fluorosulfonylbenzoate

Systemtic Name: 4-[[4-[(2,4-dinitrophenyl)diazenyl]-3-methyl-phenyl]-ethyl-amino]butyl 3-fluorosulfonylbenzoate Openeye Name: 4-[4-(2,4-dinitrophenyl)azo-N-ethyl-3-methyl-anilino]butyl 3-fluorosulfonylbenzoate CAS Name: 3-fluorosulfonylbenzoic acid 4-[4-(2,4-dinitrophenyl)azo-N-ethyl-3-methylanilino]butyl ester IUPAC Name: 4-[4-[(2,4-dinitrophenyl)diazenyl]-N-ethyl-3-methylanilino]butyl 3-fluorosulfonylbenzoate Traditional Name: 3-fluorosulfonylbenzoic acid 4-[4-(2,4-dinitrophenyl)azo-N-ethyl-3-methyl-anilino]butyl ester Formula: C26H26FN5O8S MolecularWeight: 587.576743

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)F)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CCN(CCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)F)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C26H26FN5O8S/c1-3-30(13-4-5-14-40-26(33)19-7-6-8-22(16-19)41(27,38)39)20-9-11-23(18(2)15-20)28-29-24-12-10-21(31(34)35)17-25(24)32(36)37/h6-12,15-17H,3-5,13-14H2,1-2H3