cyclohexylmethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: cyclohexylmethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: cyclohexylmethyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid cyclohexylmethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H23NO5S/c1-29-20-12-11-16(13-19(20)23(26)27)21(24)17-9-5-6-10-18(17)22(25)28-14-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8,14H2,1H3