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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=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/c1-2-18-7-6-10-20(15-18)22(19-8-4-3-5-9-19)13-14-30-24-12-11-21(16-23(24)26)29-17-25(27)28/h3-13,15-16H,2,14,17H2,1H3,(H,27,28)/b22-13+