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

Systemtic Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylsulfanyl]-3-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(2-ethylphenyl)allylsulfanyl]-3-methyl-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylthio]-3-methylphenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylsulfanyl]-3-methylphenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(2-ethylphenyl)allylthio]-3-methyl-phenoxy]acetic acid Formula: C28H30O3S MolecularWeight: 446.601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=CCSC2=C(C=C(C=C2)OCC(=O)O)C)C3=CC=CC=C3CC

Isomeric SMILES

CCC1=CC=CC=C1C(=CCSC2=C(C=C(C=C2)OCC(=O)O)C)C3=CC=CC=C3CC

InChI

InChI=1S/C28H30O3S/c1-4-21-10-6-8-12-24(21)26(25-13-9-7-11-22(25)5-2)16-17-32-27-15-14-23(18-20(27)3)31-19-28(29)30/h6-16,18H,4-5,17,19H2,1-3H3,(H,29,30)