2-[4-[(Z)-3-iodanyl-3-(2,3,4-trimethylphenyl)prop-2-enyl]sulfanyl-2-methyl-phenoxy]ethanoate

Systemtic Name: 2-[4-[(Z)-3-iodanyl-3-(2,3,4-trimethylphenyl)prop-2-enyl]sulfanyl-2-methyl-phenoxy]ethanoate Openeye Name: 2-[4-[(Z)-3-iodo-3-(2,3,4-trimethylphenyl)allyl]sulfanyl-2-methyl-phenoxy]acetate CAS Name: 2-[4-[[(Z)-3-iodo-3-(2,3,4-trimethylphenyl)prop-2-enyl]thio]-2-methylphenoxy]acetate IUPAC Name: 2-[4-[(Z)-3-iodo-3-(2,3,4-trimethylphenyl)prop-2-enyl]sulfanyl-2-methylphenoxy]acetate Traditional Name: 2-[4-[[(Z)-3-iodo-3-(2,3,4-trimethylphenyl)allyl]thio]-2-methyl-phenoxy]acetate Formula: C21H22IO3S- MolecularWeight: 481.36705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=CCSC2=CC(=C(C=C2)OCC(=O)[O-])C)I)C)C

Isomeric SMILES

CC1=C(C(=C(C=C1)/C(=C/CSC2=CC(=C(C=C2)OCC(=O)[O-])C)/I)C)C

InChI

InChI=1S/C21H23IO3S/c1-13-5-7-18(16(4)15(13)3)19(22)9-10-26-17-6-8-20(14(2)11-17)25-12-21(23)24/h5-9,11H,10,12H2,1-4H3,(H,23,24)/p-1/b19-9-