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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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