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

Systemtic Name: 2-[4-[3,3-bis(2-ethoxyphenyl)prop-2-enylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(2-ethoxyphenyl)allylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-ethoxyphenyl)prop-2-enylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-ethoxyphenyl)prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(o-phenetyl)allylthio]-2-methyl-phenoxy]acetic acid Formula: C28H30O5S MolecularWeight: 478.5998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)C)C3=CC=CC=C3OCC

Isomeric SMILES

CCOC1=CC=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)C)C3=CC=CC=C3OCC

InChI

InChI=1S/C28H30O5S/c1-4-31-26-12-8-6-10-23(26)22(24-11-7-9-13-27(24)32-5-2)16-17-34-21-14-15-25(20(3)18-21)33-19-28(29)30/h6-16,18H,4-5,17,19H2,1-3H3,(H,29,30)