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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)C)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)C)C3=CC=C(C=C3)OCC

InChI

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