2-[4-[3,3-bis(3-methoxyphenyl)prop-2-enylsulfanyl]-3-chloranyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3,3-bis(3-methoxyphenyl)prop-2-enylsulfanyl]-3-chloranyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(3-methoxyphenyl)allylsulfanyl]-3-chloro-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-methoxyphenyl)prop-2-enylthio]-3-chlorophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-methoxyphenyl)prop-2-enylsulfanyl]-3-chlorophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(3-methoxyphenyl)allylthio]-3-chloro-phenoxy]acetic acid Formula: C25H23ClO5S MolecularWeight: 470.96512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Cl)C3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Cl)C3=CC(=CC=C3)OC

InChI

InChI=1S/C25H23ClO5S/c1-29-19-7-3-5-17(13-19)22(18-6-4-8-20(14-18)30-2)11-12-32-24-10-9-21(15-23(24)26)31-16-25(27)28/h3-11,13-15H,12,16H2,1-2H3,(H,27,28)