1-(4-tert-butylcyclohexyl)oxysulfanyl-2,4-dinitro-benzene

Systemtic Name: 1-(4-tert-butylcyclohexyl)oxysulfanyl-2,4-dinitro-benzene Openeye Name: 1-(4-tert-butylcyclohexoxy)sulfanyl-2,4-dinitro-benzene CAS Name: 2,4-dinitrobenzenesulfenic acid (4-tert-butylcyclohexyl) ester IUPAC Name: 1-(4-tert-butylcyclohexyl)oxysulfanyl-2,4-dinitrobenzene Traditional Name: 1-[(4-tert-butylcyclohexoxy)thio]-2,4-dinitro-benzene Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O5S/c1-16(2,3)11-4-7-13(8-5-11)23-24-15-9-6-12(17(19)20)10-14(15)18(21)22/h6,9-11,13H,4-5,7-8H2,1-3H3