(4-cyclohexylphenyl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (4-cyclohexylphenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (4-cyclohexylphenyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (4-cyclohexylphenyl) ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClNO5S/c19-17-11-10-16(12-18(17)20(21)22)26(23,24)25-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5H2