3,3-diethyl-7-[5-ethyl-5-(sulfamoylmethyl)heptoxy]heptane-1-sulfonic acid

Systemtic Name: 3,3-diethyl-7-[5-ethyl-5-(sulfamoylmethyl)heptoxy]heptane-1-sulfonic acid Openeye Name: 3,3-diethyl-7-[5-ethyl-5-(sulfamoylmethyl)heptoxy]heptane-1-sulfonic acid CAS Name: 3,3-diethyl-7-[5-ethyl-5-(sulfamoylmethyl)heptoxy]-1-heptanesulfonic acid IUPAC Name: 3,3-diethyl-7-[5-ethyl-5-(sulfamoylmethyl)heptoxy]heptane-1-sulfonic acid Traditional Name: 3,3-diethyl-7-[5-ethyl-5-(sulfamoylmethyl)heptoxy]heptane-1-sulfonic acid Formula: C21H45NO6S2 MolecularWeight: 471.7151

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCCCOCCCCC(CC)(CC)CS(=O)(=O)N)CCS(=O)(=O)O

Isomeric SMILES

CCC(CC)(CCCCOCCCCC(CC)(CC)CS(=O)(=O)N)CCS(=O)(=O)O

InChI

InChI=1S/C21H45NO6S2/c1-5-20(6-2,15-18-30(25,26)27)13-9-11-16-28-17-12-10-14-21(7-3,8-4)19-29(22,23)24/h5-19H2,1-4H3,(H2,22,23,24)(H,25,26,27)