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

Systemtic Name: 2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]-3-propyl-phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]-3-propyl-phenyl]acetic acid CAS Name: 2-[4-[3-(4-phenoxy-2-propylphenoxy)propylthio]-3-propylphenyl]acetic acid IUPAC Name: 2-[4-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]-3-propylphenyl]acetic acid Traditional Name: 2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]-3-propyl-phenyl]acetic acid Formula: C29H34O4S MolecularWeight: 478.64286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CC(=O)O)SCCCOC2=C(C=C(C=C2)OC3=CC=CC=C3)CCC

Isomeric SMILES

CCCC1=C(C=CC(=C1)CC(=O)O)SCCCOC2=C(C=C(C=C2)OC3=CC=CC=C3)CCC

InChI

InChI=1S/C29H34O4S/c1-3-9-23-21-26(33-25-11-6-5-7-12-25)14-15-27(23)32-17-8-18-34-28-16-13-22(20-29(30)31)19-24(28)10-4-2/h5-7,11-16,19,21H,3-4,8-10,17-18,20H2,1-2H3,(H,30,31)