4-(2-methylheptan-2-yl)-1-octoxy-2-(sulfinocarbamoylsulfamoyl)benzene

Systemtic Name: 4-(2-methylheptan-2-yl)-1-octoxy-2-(sulfinocarbamoylsulfamoyl)benzene Openeye Name: 4-(1,1-dimethylhexyl)-1-octoxy-2-(sulfinocarbamoylsulfamoyl)benzene CAS Name: 4-(2-methylheptan-2-yl)-1-octoxy-2-[[oxo-(sulfinoamino)methyl]sulfamoyl]benzene IUPAC Name: 4-(2-methylheptan-2-yl)-1-octoxy-2-(sulfinocarbamoylsulfamoyl)benzene Traditional Name: 4-(1,1-dimethylhexyl)-1-octoxy-2-(sulfinocarbamoylsulfamoyl)benzene Formula: C23H40N2O6S2 MolecularWeight: 504.7035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CCCCC)S(=O)(=O)NC(=O)NS(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CCCCC)S(=O)(=O)NC(=O)NS(=O)O

InChI

InChI=1S/C23H40N2O6S2/c1-5-7-9-10-11-13-17-31-20-15-14-19(23(3,4)16-12-8-6-2)18-21(20)33(29,30)25-22(26)24-32(27)28/h14-15,18H,5-13,16-17H2,1-4H3,(H,27,28)(H2,24,25,26)