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

Systemtic Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylsulfanyl]-2-iodanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(2-ethylphenyl)allylsulfanyl]-2-iodo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylthio]-2-iodophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylsulfanyl]-2-iodophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(2-ethylphenyl)allylthio]-2-iodo-phenoxy]acetic acid Formula: C27H27IO3S MolecularWeight: 558.47095

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)I)C3=CC=CC=C3CC

Isomeric SMILES

CCC1=CC=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)I)C3=CC=CC=C3CC

InChI

InChI=1S/C27H27IO3S/c1-3-19-9-5-7-11-22(19)24(23-12-8-6-10-20(23)4-2)15-16-32-21-13-14-26(25(28)17-21)31-18-27(29)30/h5-15,17H,3-4,16,18H2,1-2H3,(H,29,30)