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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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