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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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