2-[3-bromanyl-4-[(E)-3-(2-ethylphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid

Systemtic Name: 2-[3-bromanyl-4-[(E)-3-(2-ethylphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[3-bromo-4-[(E)-3-(2-ethylphenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[3-bromo-4-[[(E)-3-(2-ethylphenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[3-bromo-4-[(E)-3-(2-ethylphenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[3-bromo-4-[[(E)-3-(2-ethylphenyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C25H23BrO3S MolecularWeight: 483.41732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=CCSC2=C(C=C(C=C2)OCC(=O)O)Br)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1/C(=C/CSC2=C(C=C(C=C2)OCC(=O)O)Br)/C3=CC=CC=C3

InChI

InChI=1S/C25H23BrO3S/c1-2-18-8-6-7-11-21(18)22(19-9-4-3-5-10-19)14-15-30-24-13-12-20(16-23(24)26)29-17-25(27)28/h3-14,16H,2,15,17H2,1H3,(H,27,28)/b22-14+