[(E)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-tert-butylbenzenesulfonate

Systemtic Name: [(E)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-tert-butylbenzenesulfonate Openeye Name: [(E)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [(E)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] ester IUPAC Name: [(E)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [(E)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)ON=C2CCCCC2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O/N=C/2\CCCC[C@H]2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-22(2,3)15-8-11-17(12-9-15)33(30,31)32-23-20-7-5-4-6-18(20)19-13-10-16(24(26)27)14-21(19)25(28)29/h8-14,18H,4-7H2,1-3H3/b23-20+/t18-/m0/s1