(4-cyclohexylphenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-cyclohexylphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (4-cyclohexylphenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-cyclohexylphenyl) ester IUPAC Name: (4-cyclohexylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (4-cyclohexylphenyl) ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C3CCCCC3

InChI

InChI=1S/C19H21NO5S/c1-14-7-10-17(20(21)22)13-19(14)26(23,24)25-18-11-8-16(9-12-18)15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3