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

Systemtic Name: 2-[4-[3,3-bis(2-methoxyphenyl)prop-2-enylsulfanyl]-3-chloranyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(2-methoxyphenyl)allylsulfanyl]-3-chloro-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-methoxyphenyl)prop-2-enylthio]-3-chlorophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-methoxyphenyl)prop-2-enylsulfanyl]-3-chlorophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(2-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=C1C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Cl)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=CC=C1C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Cl)C3=CC=CC=C3OC

InChI

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