2-[4-[3,3-bis[4-(3-fluorophenyl)phenyl]prop-2-enylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis[4-(3-fluorophenyl)phenyl]prop-2-enylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis[4-(3-fluorophenyl)phenyl]allylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis[4-(3-fluorophenyl)phenyl]prop-2-enylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis[4-(3-fluorophenyl)phenyl]prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis[4-(3-fluorophenyl)phenyl]allylthio]-2-methyl-phenoxy]acetic acid Formula: C36H28F2O3S MolecularWeight: 578.667526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)C3=CC(=CC=C3)F)C4=CC=C(C=C4)C5=CC(=CC=C5)F)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)C3=CC(=CC=C3)F)C4=CC=C(C=C4)C5=CC(=CC=C5)F)OCC(=O)O

InChI

InChI=1S/C36H28F2O3S/c1-24-20-33(16-17-35(24)41-23-36(39)40)42-19-18-34(27-12-8-25(9-13-27)29-4-2-6-31(37)21-29)28-14-10-26(11-15-28)30-5-3-7-32(38)22-30/h2-18,20-22H,19,23H2,1H3,(H,39,40)