3-[[5-hexadecoxy-2-oxidanyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[5-hexadecoxy-2-oxidanyl-4-(2,4,4-trimethylpentan-2-yl)phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[5-hexadecoxy-2-hydroxy-4-(1,1,3,3-tetramethylbutyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[5-hexadecoxy-2-hydroxy-4-(2,4,4-trimethylpentan-2-yl)phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[5-cetyloxy-2-hydroxy-4-(1,1,3,3-tetramethylbutyl)phenyl]sulfamoyl]benzoic acid Formula: C37H59NO6S MolecularWeight: 645.93246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)O)NS(=O)(=O)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C37H59NO6S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-44-34-27-32(33(39)26-31(34)37(5,6)28-36(2,3)4)38-45(42,43)30-23-21-22-29(25-30)35(40)41/h21-23,25-27,38-39H,7-20,24,28H2,1-6H3,(H,40,41)