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

Systemtic Name: 2-[4-[3,3-bis(4-ethylphenyl)prop-2-enylsulfanyl]-2-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-ethylphenyl)allylsulfanyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-ethylphenyl)prop-2-enylthio]-2-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-ethylphenyl)prop-2-enylsulfanyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(4-ethylphenyl)allylthio]-2-bromo-phenoxy]acetic acid Formula: C27H27BrO3S MolecularWeight: 511.47048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27BrO3S/c1-3-19-5-9-21(10-6-19)24(22-11-7-20(4-2)8-12-22)15-16-32-23-13-14-26(25(28)17-23)31-18-27(29)30/h5-15,17H,3-4,16,18H2,1-2H3,(H,29,30)