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

Systemtic Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-iodophenyl)allylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-iodophenyl)prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-iodophenyl)allylthio]-2-methyl-phenoxy]acetic acid Formula: C24H20I2O3S MolecularWeight: 642.28774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)I)C3=CC=C(C=C3)I)OCC(=O)O

InChI

InChI=1S/C24H20I2O3S/c1-16-14-21(10-11-23(16)29-15-24(27)28)30-13-12-22(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-12,14H,13,15H2,1H3,(H,27,28)