3-nitro-2,4,6-tri(propan-2-yl)benzenesulfonate

Systemtic Name: 3-nitro-2,4,6-tri(propan-2-yl)benzenesulfonate Openeye Name: 2,4,6-triisopropyl-3-nitro-benzenesulfonate CAS Name: 3-nitro-2,4,6-tri(propan-2-yl)benzenesulfonate IUPAC Name: 3-nitro-2,4,6-tri(propan-2-yl)benzenesulfonate Traditional Name: 2,4,6-triisopropyl-3-nitro-besylate Formula: C15H22NO5S- MolecularWeight: 328.40388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1[N+](=O)[O-])C(C)C)S(=O)(=O)[O-])C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1[N+](=O)[O-])C(C)C)S(=O)(=O)[O-])C(C)C

InChI

InChI=1S/C15H23NO5S/c1-8(2)11-7-12(9(3)4)15(22(19,20)21)13(10(5)6)14(11)16(17)18/h7-10H,1-6H3,(H,19,20,21)/p-1