methyl (E)-3-acetamido-2-[6,6-bis(chloranyl)hexyl]-10-chloranyl-dec-9-en-7-ynoate

Systemtic Name: methyl (E)-3-acetamido-2-[6,6-bis(chloranyl)hexyl]-10-chloranyl-dec-9-en-7-ynoate Openeye Name: methyl (E)-3-acetamido-10-chloro-2-(6,6-dichlorohexyl)dec-9-en-7-ynoate CAS Name: (E)-3-acetamido-10-chloro-2-(6,6-dichlorohexyl)dec-9-en-7-ynoic acid methyl ester IUPAC Name: methyl (E)-3-acetamido-10-chloro-2-(6,6-dichlorohexyl)dec-9-en-7-ynoate Traditional Name: (E)-3-acetamido-10-chloro-2-(6,6-dichlorohexyl)dec-9-en-7-ynoic acid methyl ester Formula: C19H28Cl3NO3 MolecularWeight: 424.78952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCC#CC=CCl)C(CCCCCC(Cl)Cl)C(=O)OC

Isomeric SMILES

CC(=O)NC(CCCC#C/C=C/Cl)C(CCCCCC(Cl)Cl)C(=O)OC

InChI

InChI=1S/C19H28Cl3NO3/c1-15(24)23-17(12-8-4-3-5-10-14-20)16(19(25)26-2)11-7-6-9-13-18(21)22/h10,14,16-18H,4,6-9,11-13H2,1-2H3,(H,23,24)/b14-10+