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

Systemtic Name: 2-[4-[3,3-bis(3-ethoxyphenyl)prop-2-enylsulfanyl]-3-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(3-ethoxyphenyl)allylsulfanyl]-3-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-ethoxyphenyl)prop-2-enylthio]-3-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-ethoxyphenyl)prop-2-enylsulfanyl]-3-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(m-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(=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)C)C3=CC(=CC=C3)OCC

Isomeric SMILES

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

InChI

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