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

Systemtic Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylsulfanyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(2-ethylphenyl)allylsulfanyl]phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylthio]phenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-ethylphenyl)prop-2-enylsulfanyl]phenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(2-ethylphenyl)allylthio]phenoxy]acetic acid Formula: C27H28O3S MolecularWeight: 432.57442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28O3S/c1-3-20-9-5-7-11-24(20)26(25-12-8-6-10-21(25)4-2)17-18-31-23-15-13-22(14-16-23)30-19-27(28)29/h5-17H,3-4,18-19H2,1-2H3,(H,28,29)