2-[4-[3-[4-(phenylcarbonyl)-2-propyl-phenoxy]propylsulfanyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[4-(phenylcarbonyl)-2-propyl-phenoxy]propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-benzoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[4-[3-(4-benzoyl-2-propylphenoxy)propylthio]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-benzoyl-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[4-[3-(4-benzoyl-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C27H28O4S MolecularWeight: 448.57382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OCCCSC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C2=CC=CC=C2)OCCCSC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C27H28O4S/c1-2-7-22-19-23(27(30)21-8-4-3-5-9-21)12-15-25(22)31-16-6-17-32-24-13-10-20(11-14-24)18-26(28)29/h3-5,8-15,19H,2,6-7,16-18H2,1H3,(H,28,29)