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

Systemtic Name: 2-[4-[3,3-bis(3-ethoxyphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(3-ethoxyphenyl)allylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-ethoxyphenyl)prop-2-enylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-ethoxyphenyl)prop-2-enylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(m-phenetyl)allylthio]phenoxy]acetic acid Formula: C27H28O5S MolecularWeight: 464.57322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O5S/c1-3-30-23-9-5-7-20(17-23)26(21-8-6-10-24(18-21)31-4-2)15-16-33-25-13-11-22(12-14-25)32-19-27(28)29/h5-15,17-18H,3-4,16,19H2,1-2H3,(H,28,29)