2-[4-[4-(4-phenylsulfanylcarbonyl-2-propyl-phenoxy)butoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[4-(4-phenylsulfanylcarbonyl-2-propyl-phenoxy)butoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[4-(4-phenylsulfanylcarbonyl-2-propyl-phenoxy)butoxy]phenyl]acetic acid CAS Name: 2-[4-[4-[4-[oxo-(phenylthio)methyl]-2-propylphenoxy]butoxy]phenyl]acetic acid IUPAC Name: 2-[4-[4-(4-phenylsulfanylcarbonyl-2-propylphenoxy)butoxy]phenyl]acetic acid Traditional Name: 2-[4-[4-[4-(phenylthio)carbonyl-2-propyl-phenoxy]butoxy]phenyl]acetic acid Formula: C28H30O5S MolecularWeight: 478.5998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)SC2=CC=CC=C2)OCCCCOC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)SC2=CC=CC=C2)OCCCCOC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C28H30O5S/c1-2-8-22-20-23(28(31)34-25-9-4-3-5-10-25)13-16-26(22)33-18-7-6-17-32-24-14-11-21(12-15-24)19-27(29)30/h3-5,9-16,20H,2,6-8,17-19H2,1H3,(H,29,30)