5-nitro-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzenesulfonic acid

Systemtic Name: 5-nitro-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzenesulfonic acid Openeye Name: 5-nitro-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]benzenesulfonic acid CAS Name: 5-nitro-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzenesulfonic acid IUPAC Name: 5-nitro-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]benzenesulfonic acid Traditional Name: 5-nitro-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]besylic acid Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO6S/c1-19(2,3)13-20(4,5)14-6-9-16(10-7-14)27-17-11-8-15(21(22)23)12-18(17)28(24,25)26/h6-12H,13H2,1-5H3,(H,24,25,26)