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

Systemtic Name: 2-[4-[3,3-bis(2-methoxyphenyl)prop-2-enylsulfanyl]-2-bromanyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3,3-bis(2-methoxyphenyl)allylsulfanyl]-2-bromo-phenoxy]acetic acid CAS Name: 2-[4-[3,3-bis(2-methoxyphenyl)prop-2-enylthio]-2-bromophenoxy]acetic acid IUPAC Name: 2-[4-[3,3-bis(2-methoxyphenyl)prop-2-enylsulfanyl]-2-bromophenoxy]acetic acid Traditional Name: 2-[4-[3,3-bis(2-methoxyphenyl)allylthio]-2-bromo-phenoxy]acetic acid Formula: C25H23BrO5S MolecularWeight: 515.41612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC=CC=C3OC

Isomeric SMILES

COC1=CC=CC=C1C(=CCSC2=CC(=C(C=C2)OCC(=O)O)Br)C3=CC=CC=C3OC

InChI

InChI=1S/C25H23BrO5S/c1-29-22-9-5-3-7-19(22)18(20-8-4-6-10-23(20)30-2)13-14-32-17-11-12-24(21(26)15-17)31-16-25(27)28/h3-13,15H,14,16H2,1-2H3,(H,27,28)