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4-[(1E,3Z)-4-(4-Hydroxyphenyl)-2,3-diisocyano-1,3-butadien-1-yl]phenol

ChemSpider ID: 21106491
Molecular Formula: C₁₈H₁₂N₂O₂
Average mass: 288.299988 Da
Monoisotopic mass: 288.089996 Da
Systematic name

4-[(1E,3Z)-4-(4-Hydroxyphenyl)-2,3-diisocyano-1,3-butadien-1-yl]phenol
SMILES and InChIs

SMILES:

Oc2ccc(/C=C(\[N+]#[C-])/C(/[N+]#[C-])=C\c1ccc(O)cc1)cc2 Copied

Std. InChI:

InChI=1S/C18H12N2O2/c1-19-17(11-13-3-7-15(21)8-4-13)18(20-2)12-14-5-9-16(22)10-6-14/h3-12,21-22H/b17-11-,18-12+ Copied

Std. InChIKey:

YBMVKDUTYAGKEW-MJZABRMRSA-N Copied
Cite this record
CSID:21106491, http://www.chemspider.com/Chemical-Structure.21106491.html (accessed 15:21, May 22, 2013) Copied

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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