N-[(4,5,7-Trichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanaminium (2Z)-3-carboxyacrylate

ChemSpider ID: 4939117
Molecular Formula: C₁₅H₁₆Cl₃NO₅
Monoisotopic mass: 395.009002685547 Da
Systematic name

N-[(4,5,7-Trichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanaminium (2Z)-3-carboxyacrylate
SMILES and InChIs

SMILES:

[O-]C(=O)\C=C/C(=O)O.Clc2c1OC(Cc1c(Cl)c(Cl)c2)C[NH2+]CC Copied

Std. InChI:

InChI=1S/C11H12Cl3NO.C4H4O4/c1-2-15-5-6-3-7-10(14)8(12)4-9(13)11(7)16-6;5-3(6)1-2-4(7)8/h4,6,15H,2-3,5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1- Copied

Std. InChIKey:

ZJZCJTSPIDANDI-BTJKTKAUSA-N Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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