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

Systemtic Name: 2-[4-[3,3-bis(2-methylphenyl)prop-2-enylsulfanyl]-3-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(o-tolyl)allylsulfanyl]-3-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-methylphenyl)prop-2-enylthio]-3-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-methylphenyl)prop-2-enylsulfanyl]-3-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(o-tolyl)allylthio]-3-methyl-phenoxy]acetic acid Formula: C26H26O3S MolecularWeight: 418.54784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26O3S/c1-18-8-4-6-10-22(18)24(23-11-7-5-9-19(23)2)14-15-30-25-13-12-21(16-20(25)3)29-17-26(27)28/h4-14,16H,15,17H2,1-3H3,(H,27,28)