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

Systemtic Name: (2-cyclohexylphenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (2-cyclohexylphenyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (2-cyclohexylphenyl) ester IUPAC Name: (2-cyclohexylphenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (2-cyclohexylphenyl) ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=CC=C2OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=CC=C2OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClNO5S/c19-16-11-10-14(12-17(16)20(21)22)26(23,24)25-18-9-5-4-8-15(18)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2