2-(2,6-ditert-butyl-4-methyl-phenoxy)-5-nitro-benzenesulfonic acid

Systemtic Name: 2-(2,6-ditert-butyl-4-methyl-phenoxy)-5-nitro-benzenesulfonic acid Openeye Name: 2-(2,6-ditert-butyl-4-methyl-phenoxy)-5-nitro-benzenesulfonic acid CAS Name: 2-(2,6-ditert-butyl-4-methylphenoxy)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(2,6-ditert-butyl-4-methylphenoxy)-5-nitrobenzenesulfonic acid Traditional Name: 2-(2,6-ditert-butyl-4-methyl-phenoxy)-5-nitro-besylic acid Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-13-10-15(20(2,3)4)19(16(11-13)21(5,6)7)28-17-9-8-14(22(23)24)12-18(17)29(25,26)27/h8-12H,1-7H3,(H,25,26,27)