Xantocillin
[CAS# 580-74-5]

Identification

• Name: Xantocillin
• Synonyms: 4-[(1Z,3Z)-4-(4-Hydroxyphenyl)-2,3-Diisocyanobuta-1,3-Dienyl]Phenol; 4-[4-(4-Hydroxyphenyl)-2,3-Diisocyano-Buta-1,3-Dienyl]Phenol; 4-[(1Z,3Z)-4-(4-Hydroxyphenyl)-2,3-Diisocyano-Buta-1,3-Dienyl]Phenol
• Molecular Formula: C₁₈H₁₂N₂O₂
• Molecular Weight: 288.31
• CAS Registry Number: 580-74-5
• SMILES: C1=CC(=CC=C1/C=C(/C(=C/C2=CC=C(O)C=C2)[N+]#[C-])[N+]#[C-])O
• 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-
• InChIKey: YBMVKDUTYAGKEW-WHYMJUELSA-N