2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]benzoic acid

Systemtic Name: 2-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]benzoic acid Openeye Name: 2-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanyl]benzoic acid CAS Name: 2-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]benzoic acid IUPAC Name: 2-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanyl]benzoic acid Traditional Name: 2-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]benzoic acid Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C22H26O5S/c1-3-8-17-19(12-11-16(15(2)23)21(17)24)27-13-6-7-14-28-20-10-5-4-9-18(20)22(25)26/h4-5,9-12,24H,3,6-8,13-14H2,1-2H3,(H,25,26)