(2-cyclohexylsulfanyl-5-nitro-phenyl)methyl 4-nitrobenzoate

Systemtic Name: (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl 4-nitrobenzoate Openeye Name: (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(cyclohexylthio)-5-nitrophenyl]methyl ester IUPAC Name: (2-cyclohexylsulfanyl-5-nitrophenyl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(cyclohexylthio)-5-nitro-benzyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SC2=C(C=C(C=C2)[N+](=O)[O-])COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c23-20(14-6-8-16(9-7-14)21(24)25)28-13-15-12-17(22(26)27)10-11-19(15)29-18-4-2-1-3-5-18/h6-12,18H,1-5,13H2