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

Systemtic Name: 2-[4-[3,3-bis(3-methylphenyl)prop-2-enylsulfanyl]-2-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(m-tolyl)allylsulfanyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-methylphenyl)prop-2-enylthio]-2-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-methylphenyl)prop-2-enylsulfanyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(m-tolyl)allylthio]-2-bromo-phenoxy]acetic acid Formula: C25H23BrO3S MolecularWeight: 483.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC(=CC=C3)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H23BrO3S/c1-17-5-3-7-19(13-17)22(20-8-4-6-18(2)14-20)11-12-30-21-9-10-24(23(26)15-21)29-16-25(27)28/h3-11,13-15H,12,16H2,1-2H3,(H,27,28)