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

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

Isomeric SMILES

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

InChI

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