(4-methyl-2-nitro-phenyl) 4-propan-2-ylbenzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-propan-2-ylbenzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5S/c1-11(2)13-5-7-14(8-6-13)23(20,21)22-16-9-4-12(3)10-15(16)17(18)19/h4-11H,1-3H3