2-[4-[(Z)-3-(3-bromophenyl)-3-phenyl-prop-2-enyl]sulfanylphenoxy]ethanoic acid

Systemtic Name: 2-[4-[(Z)-3-(3-bromophenyl)-3-phenyl-prop-2-enyl]sulfanylphenoxy]ethanoic acid Openeye Name: 2-[4-[(Z)-3-(3-bromophenyl)-3-phenyl-allyl]sulfanylphenoxy]acetic acid CAS Name: 2-[4-[[(Z)-3-(3-bromophenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[4-[(Z)-3-(3-bromophenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[4-[[(Z)-3-(3-bromophenyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C23H19BrO3S MolecularWeight: 455.36416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrO3S/c24-19-8-4-7-18(15-19)22(17-5-2-1-3-6-17)13-14-28-21-11-9-20(10-12-21)27-16-23(25)26/h1-13,15H,14,16H2,(H,25,26)/b22-13-