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

Systemtic Name: (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl 4-methylbenzoate Openeye Name: (2-cyclohexylsulfanyl-5-nitro-phenyl)methyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-(cyclohexylthio)-5-nitrophenyl]methyl ester IUPAC Name: (2-cyclohexylsulfanyl-5-nitrophenyl)methyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-(cyclohexylthio)-5-nitro-benzyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])SC3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])SC3CCCCC3

InChI

InChI=1S/C21H23NO4S/c1-15-7-9-16(10-8-15)21(23)26-14-17-13-18(22(24)25)11-12-20(17)27-19-5-3-2-4-6-19/h7-13,19H,2-6,14H2,1H3