[(Z)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-methoxybenzenesulfonate

Systemtic Name: [(Z)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-methoxybenzenesulfonate Openeye Name: [(Z)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [(Z)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] ester IUPAC Name: [(Z)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [(Z)-[(2S)-2-(2,4-dinitrophenyl)cyclohexylidene]amino] ester Formula: C19H19N3O8S MolecularWeight: 449.43446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCCC2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=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/C19H19N3O8S/c1-29-14-7-9-15(10-8-14)31(27,28)30-20-18-5-3-2-4-16(18)17-11-6-13(21(23)24)12-19(17)22(25)26/h6-12,16H,2-5H2,1H3/b20-18-/t16-/m0/s1