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

Systemtic Name: 2-[4-[3,3-bis(3-bromophenyl)prop-2-enylsulfanyl]-3-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(3-bromophenyl)allylsulfanyl]-3-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-bromophenyl)prop-2-enylthio]-3-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-bromophenyl)prop-2-enylsulfanyl]-3-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(3-bromophenyl)allylthio]-3-methyl-phenoxy]acetic acid Formula: C24H20Br2O3S MolecularWeight: 548.2868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20Br2O3S/c1-16-12-21(29-15-24(27)28)8-9-23(16)30-11-10-22(17-4-2-6-19(25)13-17)18-5-3-7-20(26)14-18/h2-10,12-14H,11,15H2,1H3,(H,27,28)