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

Systemtic Name: 2-[4-[3,3-bis(3-methylphenyl)prop-2-enylsulfanyl]-3-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(m-tolyl)allylsulfanyl]-3-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(3-methylphenyl)prop-2-enylthio]-3-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(3-methylphenyl)prop-2-enylsulfanyl]-3-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(m-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(=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)C)C3=CC(=CC=C3)C

Isomeric SMILES

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

InChI

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