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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)C)C3=CC=C(C=C3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=CCSC2=C(C=C(C=C2)OCC(=O)O)C)C3=CC=C(C=C3)CC

InChI

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