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6',7'-Dimethoxy-2,3-didehydroemetan-5-ium bromide

ChemSpider ID: 4572258
Molecular Formula: C₂₇H₃₅BrN₂O₂
Average mass: 499.483002 Da
Monoisotopic mass: 498.187988 Da
Systematic name

6',7'-Dimethoxy-2,3-didehydroemetan-5-ium bromide
SMILES and InChIs

SMILES:

[Br-].O(c1c(OC)cc2c(c1)C(NCC2)CC\5=C(/CC)C[NH+]4C(c3ccccc3CC4)C/5)C Copied

Std. InChI:

InChI=1S/C27H34N2O2.BrH/c1-4-18-17-29-12-10-19-7-5-6-8-22(19)25(29)14-21(18)13-24-23-16-27(31-3)26(30-2)15-20(23)9-11-28-24;/h5-8,15-16,24-25,28H,4,9-14,17H2,1-3H3;1H Copied

Std. InChIKey:

ZAPKYOAWZGRSFK-UHFFFAOYSA-N Copied
Cite this record
CSID:4572258, http://www.chemspider.com/Chemical-Structure.4572258.html (accessed 03:31, May 20, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

NSC134755 [DBID]

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

Click to predict properties on the Chemicalize site

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