(2-butan-2-ylphenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-butan-2-ylphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-sec-butylphenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-sec-butylphenyl) ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H19NO5S/c1-4-12(2)15-7-5-6-8-16(15)23-24(21,22)17-11-14(18(19)20)10-9-13(17)3/h5-12H,4H2,1-3H3