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

Systemtic Name: 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzenesulfonic acid Openeye Name: 3-nitro-4-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]benzenesulfonic acid CAS Name: 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzenesulfonic acid IUPAC Name: 3-nitro-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzenesulfonic acid Traditional Name: 3-nitro-4-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]besylic acid Formula: C22H29NO7S MolecularWeight: 451.53316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H29NO7S/c1-21(2,3)15-22(4,5)16-6-8-17(9-7-16)29-12-13-30-20-11-10-18(31(26,27)28)14-19(20)23(24)25/h6-11,14H,12-13,15H2,1-5H3,(H,26,27,28)