(4-nitrophenyl) 2-[1-(phenylmethylsulfanyl)cyclohexyl]ethanoate

Systemtic Name: (4-nitrophenyl) 2-[1-(phenylmethylsulfanyl)cyclohexyl]ethanoate Openeye Name: (4-nitrophenyl) 2-(1-benzylsulfanylcyclohexyl)acetate CAS Name: 2-[1-(phenylmethylthio)cyclohexyl]acetic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(1-benzylsulfanylcyclohexyl)acetate Traditional Name: 2-[1-(benzylthio)cyclohexyl]acetic acid (4-nitrophenyl) ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S/c23-20(26-19-11-9-18(10-12-19)22(24)25)15-21(13-5-2-6-14-21)27-16-17-7-3-1-4-8-17/h1,3-4,7-12H,2,5-6,13-16H2