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Xanthocillin x dimethyl ether

  • Formula: C20H16N2O2

  • Molecular weight: 316.40

  • Smiles: COC1=CC=C(C=C1)C=C(C(=CC2=CC=C(C=C2)OC)[N+]#[C-])[N+]#[C-]

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Xanthocillin x dimethyl ether

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Xanthocillin x dimethyl ether

  • First synonym: Xanthocillin x dimethyl ether

  • Synonyms: Xanthocillin X dimethyl ether,Xanthocillin X permethyl ether,4464-33-9,UNII-Y2QBX70049,Ethylene isocyanide, bis(p-methoxybenzylidene)-,Xanthocillin X dimethylether,Y2QBX70049,1-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dienyl]-4-methoxybenzene,Xanthocillin dimethyl ether,Bis(p-methoxybenzylidene)ethylene isocyanide,Xanthocillin-X dimethylether,SCHEMBL9351182,CHEMBL1813661,Benzene, 1,1'-(2,3-diisocyano-1,3-butadiene-1,4-diyl)bis(4-methoxy- (9CI),HY-111911,CS-0093901,Q27294184

Identifiers / External links

Structure

  • Smiles: COC1=CC=C(C=C1)C=C(C(=CC2=CC=C(C=C2)OC)[N+]#[C-])[N+]#[C-]

  • Isomeric smiles: COC1=CC=C(C=C1)/C=C(\[N+]#[C-])/C(=C/C2=CC=C(C=C2)OC)/[N+]#[C-]

  • Inchi: InChI=1S/C20H16N2O2/c1-21-19(13-15-5-9-17(23-3)10-6-15)20(22-2)14-16-7-11-18(24-4)12-8-16/h5-14H,3-4H3/b19-13-,20-14-

  • Inchikey: VJKZMXOJMQCHRI-AXPXABNXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H16N2O2

  • Molecular weight: 316.40

  • Monoisotopic mass: 316.121177757

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