5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]-1-benzothiophene-2-carboxylic acid Openeye Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]benzothiophene-2-carboxylic acid CAS Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-1-benzothiophene-2-carboxylic acid IUPAC Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-1-benzothiophene-2-carboxylic acid Traditional Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]benzothiophene-2-carboxylic acid Formula: C23H24O6S MolecularWeight: 428.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC3=C(C=C2)SC(=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC3=C(C=C2)SC(=C3)C(=O)O

InChI

InChI=1S/C23H24O6S/c1-3-5-18-19(8-7-17(14(2)24)22(18)25)29-11-4-10-28-16-6-9-20-15(12-16)13-21(30-20)23(26)27/h6-9,12-13,25H,3-5,10-11H2,1-2H3,(H,26,27)