(1R,2S)-2-[(5-ethylsulfanyl-2,4-dinitro-phenyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(5-ethylsulfanyl-2,4-dinitro-phenyl)amino]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-(5-ethylsulfanyl-2,4-dinitro-anilino)cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[5-(ethylthio)-2,4-dinitroanilino]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-(5-ethylsulfanyl-2,4-dinitroanilino)cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[5-(ethylthio)-2,4-dinitro-anilino]cyclohexanecarboxylic acid Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=C(C(=C1)NC2CCCCC2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=C(C(=C1)N[C@H]2CCCC[C@H]2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6S/c1-2-25-14-7-11(12(17(21)22)8-13(14)18(23)24)16-10-6-4-3-5-9(10)15(19)20/h7-10,16H,2-6H2,1H3,(H,19,20)/t9-,10+/m1/s1