6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]pyridine-3-carboxylic acid Openeye Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]pyridine-3-carboxylic acid CAS Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]pyridine-3-carboxylic acid Traditional Name: 6-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]nicotinic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H23NO7S/c1-3-5-16-17(8-7-15(13(2)22)19(16)23)28-10-4-11-29(26,27)18-9-6-14(12-21-18)20(24)25/h6-9,12,23H,3-5,10-11H2,1-2H3,(H,24,25)