2-[4-[(E)-3-(4-bromophenyl)-3-iodanyl-prop-2-enyl]sulfanyl-2-methyl-phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-3-(4-bromophenyl)-3-iodanyl-prop-2-enyl]sulfanyl-2-methyl-phenoxy]ethanoate Openeye Name: 2-[4-[(E)-3-(4-bromophenyl)-3-iodo-allyl]sulfanyl-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[(E)-3-(4-bromophenyl)-3-iodoprop-2-enyl]thio]-2-methylphenoxy]acetate IUPAC Name: 2-[4-[(E)-3-(4-bromophenyl)-3-iodoprop-2-enyl]sulfanyl-2-methylphenoxy]acetate Traditional Name: 2-[4-[[(E)-3-(4-bromophenyl)-3-iodo-allyl]thio]-2-methyl-phenoxy]acetate Formula: C18H15BrIO3S- MolecularWeight: 518.18337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCC=C(C2=CC=C(C=C2)Br)I)OCC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC/C=C(\C2=CC=C(C=C2)Br)/I)OCC(=O)[O-]

InChI

InChI=1S/C18H16BrIO3S/c1-12-10-15(6-7-17(12)23-11-18(21)22)24-9-8-16(20)13-2-4-14(19)5-3-13/h2-8,10H,9,11H2,1H3,(H,21,22)/p-1/b16-8+