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

Systemtic Name: 2-[4-[3,3-bis(4-phenylphenyl)prop-2-enylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-phenylphenyl)allylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-phenylphenyl)prop-2-enylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-phenylphenyl)prop-2-enylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-phenylphenyl)allylthio]-2-methyl-phenoxy]acetic acid Formula: C36H30O3S MolecularWeight: 542.6866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)OCC(=O)O

InChI

InChI=1S/C36H30O3S/c1-26-24-33(20-21-35(26)39-25-36(37)38)40-23-22-34(31-16-12-29(13-17-31)27-8-4-2-5-9-27)32-18-14-30(15-19-32)28-10-6-3-7-11-28/h2-22,24H,23,25H2,1H3,(H,37,38)