[4-[(2,4-dinitrophenyl)amino]phenyl] 5-tert-butyl-2,3-dimethyl-benzenesulfonate

Systemtic Name: [4-[(2,4-dinitrophenyl)amino]phenyl] 5-tert-butyl-2,3-dimethyl-benzenesulfonate Openeye Name: [4-(2,4-dinitroanilino)phenyl] 5-tert-butyl-2,3-dimethyl-benzenesulfonate CAS Name: 5-tert-butyl-2,3-dimethylbenzenesulfonic acid [4-(2,4-dinitroanilino)phenyl] ester IUPAC Name: [4-(2,4-dinitroanilino)phenyl] 5-tert-butyl-2,3-dimethylbenzenesulfonate Traditional Name: 5-tert-butyl-2,3-dimethyl-benzenesulfonic acid [4-(2,4-dinitroanilino)phenyl] ester Formula: C24H25N3O7S MolecularWeight: 499.5362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)S(=O)(=O)OC2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C24H25N3O7S/c1-15-12-17(24(3,4)5)13-23(16(15)2)35(32,33)34-20-9-6-18(7-10-20)25-21-11-8-19(26(28)29)14-22(21)27(30)31/h6-14,25H,1-5H3