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

Systemtic Name: 2-[4-[3,3-bis(2-ethoxyphenyl)prop-2-enylsulfanyl]-3-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(2-ethoxyphenyl)allylsulfanyl]-3-iodo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-ethoxyphenyl)prop-2-enylthio]-3-iodophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-ethoxyphenyl)prop-2-enylsulfanyl]-3-iodophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(o-phenetyl)allylthio]-3-iodo-phenoxy]acetic acid Formula: C27H27IO5S MolecularWeight: 590.46975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27IO5S/c1-3-31-24-11-7-5-9-21(24)20(22-10-6-8-12-25(22)32-4-2)15-16-34-26-14-13-19(17-23(26)28)33-18-27(29)30/h5-15,17H,3-4,16,18H2,1-2H3,(H,29,30)