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

Systemtic Name: 2-[3-methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanoic acid Openeye Name: 2-[3-methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propylsulfanyl]phenyl]acetic acid CAS Name: 2-[3-methyl-4-[3-(4-phenoxy-2-propylphenoxy)propylthio]phenyl]acetic acid IUPAC Name: 2-[3-methyl-4-[3-(4-phenoxy-2-propylphenoxy)propylsulfanyl]phenyl]acetic acid Traditional Name: 2-[3-methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)propylthio]phenyl]acetic acid Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=C(C=C(C=C3)CC(=O)O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCSC3=C(C=C(C=C3)CC(=O)O)C

InChI

InChI=1S/C27H30O4S/c1-3-8-22-19-24(31-23-9-5-4-6-10-23)12-13-25(22)30-15-7-16-32-26-14-11-21(17-20(26)2)18-27(28)29/h4-6,9-14,17,19H,3,7-8,15-16,18H2,1-2H3,(H,28,29)