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

Systemtic Name: 2-[2-bromanyl-4-[(Z)-3-(3-chlorophenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[2-bromo-4-[(Z)-3-(3-chlorophenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[2-bromo-4-[[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[2-bromo-4-[(Z)-3-(3-chlorophenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[2-bromo-4-[[(Z)-3-(3-chlorophenyl)-3-phenyl-allyl]thio]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=CC(=C(C=C2)OCC(=O)O)Br)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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