2-(3-hexadecyl-2-sulfamoyl-phenoxy)butanoic acid

Systemtic Name: 2-(3-hexadecyl-2-sulfamoyl-phenoxy)butanoic acid Openeye Name: 2-(3-hexadecyl-2-sulfamoyl-phenoxy)butanoic acid CAS Name: 2-(3-hexadecyl-2-sulfamoylphenoxy)butanoic acid IUPAC Name: 2-(3-hexadecyl-2-sulfamoylphenoxy)butanoic acid Traditional Name: 2-(3-cetyl-2-sulfamoyl-phenoxy)butyric acid Formula: C26H45NO5S MolecularWeight: 483.7042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(CC)C(=O)O)S(=O)(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(CC)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C26H45NO5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21-24(25(22)33(27,30)31)32-23(4-2)26(28)29/h18,20-21,23H,3-17,19H2,1-2H3,(H,28,29)(H2,27,30,31)