Tunichlorin
[CAS# 114571-91-4]

Identification

• Name: Tunichlorin
• Synonyms: Tunichlorin
• Molecular Formula: C₃₂H₃₂N₄NiO₄
• Molecular Weight: 595.32
• CAS Registry Number: 114571-91-4
• SMILES: N1=C3C4=C(C1=CC2=C(C(=C([N-]2)C=C6[N-]C(=CC5=NC(=C3CC4=O)C(C5C)CCC([O-])=O)C(=C6CO)C)C)CC)C.[H+].[Ni++]
• InChI: 1S/C32H34N4O4.Ni/c1-6-18-14(2)23-11-27-21(13-37)16(4)22(34-27)10-24-15(3)19(7-8-29(39)40)31(35-24)20-9-28(38)30-17(5)25(36-32(20)30)12-26(18)33-23;/h10-12,15,19,37H,6-9,13H2,1-5H3,(H3,33,34,35,36,38,39,40);/q;+2/p-2
• InChIKey: YFMIQSKJICWDHW-UHFFFAOYSA-L

Properties

• Boiling point: 780.6°C at 760 mmHg (Cal.)
• Flash point: 425.9°C (Cal.)