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

Systemtic Name: 2-[4-[3,3-bis(4-ethoxyphenyl)prop-2-enylsulfanyl]-2-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(4-ethoxyphenyl)allylsulfanyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(4-ethoxyphenyl)prop-2-enylthio]-2-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(4-ethoxyphenyl)prop-2-enylsulfanyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(p-phenetyl)allylthio]-2-bromo-phenoxy]acetic acid Formula: C27H27BrO5S MolecularWeight: 543.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C27H27BrO5S/c1-3-31-21-9-5-19(6-10-21)24(20-7-11-22(12-8-20)32-4-2)15-16-34-23-13-14-26(25(28)17-23)33-18-27(29)30/h5-15,17H,3-4,16,18H2,1-2H3,(H,29,30)