(4-tert-butylphenyl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (4-tert-butylphenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (4-tert-butylphenyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (4-tert-butylphenyl) ester Formula: C16H16ClNO5S MolecularWeight: 369.81994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClNO5S/c1-16(2,3)11-4-6-12(7-5-11)23-24(21,22)13-8-9-14(17)15(10-13)18(19)20/h4-10H,1-3H3