Chem
J-GLOBAL ID：200907099758413892   Nikkaji number：J2.198.510D

Xanthocillin X dimethylether

キサントシリンXジメチルエーテル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18[C-]2H16[N+]2O2
Molecular formula furigana： C20-H16-N2-O2
Molecular weight： 316.360
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-
InChI key： VJKZMXOJMQCHRI-AXPXABNXSA-N
SMILES： COc1ccc(/C=C(\[N+]#[C-])/C(=C/c2ccc(OC)cc2)/[N+]#[C-])cc1
Systematic name  (3)：
  • (1Z,3Z)-1,4-ビス(4-メトキシフェニル)-2,3-ジイソシアノ-1,3-ブタジエン
  • 1-[(1Z,3Z)-2,3-ジイソシアノ-4-(4-メトキシフェニル)ブタ-1,3-ジエン-1-イル]-4-メトキシベンゼン
  • 1-[(1Z,3Z)-2,3-diisocyano-4-(4-methoxyphenyl)buta-1,3-dien-1-yl]-4-methoxybenzene
Other name (3)：
  • (1Z,3Z)-1,4-Bis(4-methoxyphenyl)-2,3-diisocyano-1,3-butadiene
  • キサントシリンXジメチルエーテル
  • Xanthocillin X dimethylether
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