2-octoxy-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonylamino]benzenesulfinate

Systemtic Name: 2-octoxy-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonylamino]benzenesulfinate Openeye Name: 2-octoxy-5-[[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]sulfonylamino]benzenesulfinate CAS Name: 2-octoxy-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonylamino]benzenesulfinate IUPAC Name: 2-octoxy-5-[[2-octoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonylamino]benzenesulfinate Traditional Name: 2-octoxy-5-[[2-octoxy-5-(1,1,3,3-tetramethylbutyl)phenyl]sulfonylamino]benzenesulfinate Formula: C36H58NO6S2- MolecularWeight: 664.97882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)OCCCCCCCC)S(=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)OCCCCCCCC)S(=O)[O-]

InChI

InChI=1S/C36H59NO6S2/c1-8-10-12-14-16-18-24-42-31-23-21-30(27-33(31)44(38)39)37-45(40,41)34-26-29(36(6,7)28-35(3,4)5)20-22-32(34)43-25-19-17-15-13-11-9-2/h20-23,26-27,37H,8-19,24-25,28H2,1-7H3,(H,38,39)/p-1