2-[4-[(Z)-3-(3-bromophenyl)-3-phenyl-prop-2-enyl]sulfanyl-3-chloranyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(Z)-3-(3-bromophenyl)-3-phenyl-prop-2-enyl]sulfanyl-3-chloranyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[(Z)-3-(3-bromophenyl)-3-phenyl-allyl]sulfanyl-3-chloro-phenoxy]acetic acid CAS Name: 2-[4-[[(Z)-3-(3-bromophenyl)-3-phenylprop-2-enyl]thio]-3-chlorophenoxy]acetic acid IUPAC Name: 2-[4-[(Z)-3-(3-bromophenyl)-3-phenylprop-2-enyl]sulfanyl-3-chlorophenoxy]acetic acid Traditional Name: 2-[4-[[(Z)-3-(3-bromophenyl)-3-phenyl-allyl]thio]-3-chloro-phenoxy]acetic acid Formula: C23H18BrClO3S MolecularWeight: 489.80922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrClO3S/c24-18-8-4-7-17(13-18)20(16-5-2-1-3-6-16)11-12-29-22-10-9-19(14-21(22)25)28-15-23(26)27/h1-11,13-14H,12,15H2,(H,26,27)/b20-11-