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

Systemtic Name: 2-[3-bromanyl-4-[(Z)-3-(3-iodanylphenyl)-3-phenyl-prop-2-enyl]sulfanyl-phenoxy]ethanoic acid Openeye Name: 2-[3-bromo-4-[(Z)-3-(3-iodophenyl)-3-phenyl-allyl]sulfanyl-phenoxy]acetic acid CAS Name: 2-[3-bromo-4-[[(Z)-3-(3-iodophenyl)-3-phenylprop-2-enyl]thio]phenoxy]acetic acid IUPAC Name: 2-[3-bromo-4-[(Z)-3-(3-iodophenyl)-3-phenylprop-2-enyl]sulfanylphenoxy]acetic acid Traditional Name: 2-[3-bromo-4-[[(Z)-3-(3-iodophenyl)-3-phenyl-allyl]thio]phenoxy]acetic acid Formula: C23H18BrIO3S MolecularWeight: 581.26069

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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)Br)C3=CC(=CC=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrIO3S/c24-21-14-19(28-15-23(26)27)9-10-22(21)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-