2-[4-[3,3-bis(4-chlorophenyl)prop-2-enylsulfanyl]-2-ethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(4-chlorophenyl)prop-2-enylsulfanyl]-2-ethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-chlorophenyl)allylsulfanyl]-2-ethyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-chlorophenyl)prop-2-enylthio]-2-ethylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-chlorophenyl)prop-2-enylsulfanyl]-2-ethylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-chlorophenyl)allylthio]-2-ethyl-phenoxy]acetic acid Formula: C25H22Cl2O3S MolecularWeight: 473.41138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)OCC(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)OCC(=O)O

InChI

InChI=1S/C25H22Cl2O3S/c1-2-17-15-22(11-12-24(17)30-16-25(28)29)31-14-13-23(18-3-7-20(26)8-4-18)19-5-9-21(27)10-6-19/h3-13,15H,2,14,16H2,1H3,(H,28,29)