[4-cyano-2-nitro-2-(4-phenylcyclohexen-1-yl)butyl] methanesulfonate

Systemtic Name: [4-cyano-2-nitro-2-(4-phenylcyclohexen-1-yl)butyl] methanesulfonate Openeye Name: [4-cyano-2-nitro-2-(4-phenylcyclohexen-1-yl)butyl] methanesulfonate CAS Name: methanesulfonic acid [4-cyano-2-nitro-2-(4-phenyl-1-cyclohexenyl)butyl] ester IUPAC Name: [4-cyano-2-nitro-2-(4-phenylcyclohexen-1-yl)butyl] methanesulfonate Traditional Name: methanesulfonic acid [4-cyano-2-nitro-2-(4-phenylcyclohexen-1-yl)butyl] ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC(CCC#N)(C1=CCC(CC1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCC(CCC#N)(C1=CCC(CC1)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O5S/c1-26(23,24)25-14-18(20(21)22,12-5-13-19)17-10-8-16(9-11-17)15-6-3-2-4-7-15/h2-4,6-7,10,16H,5,8-9,11-12,14H2,1H3