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

Systemtic Name: 2-[4-[3,3-bis(2-methylphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(o-tolyl)allylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-methylphenyl)prop-2-enylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-methylphenyl)prop-2-enylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(o-tolyl)allylthio]phenoxy]acetic acid Formula: C25H24O3S MolecularWeight: 404.52126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1C(=CCSC2=CC=C(C=C2)OCC(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C25H24O3S/c1-18-7-3-5-9-22(18)24(23-10-6-4-8-19(23)2)15-16-29-21-13-11-20(12-14-21)28-17-25(26)27/h3-15H,16-17H2,1-2H3,(H,26,27)