Verdohemochrome
[CAS# 17567-74-7]

Identification

• Name: Verdohemochrome
• Synonyms: Verdohaemochrome; Verdohemochrome
• Molecular Formula: C₄₃H₄₂FeN₆O₆
• Molecular Weight: 794.69
• CAS Registry Number: 17567-74-7
• SMILES: O3C1(O)N=C(C(=C1C)C=C)C=C5[N-]C(=CC2=C(C(=C([N-]2)C=C4N=C3C(=C4C)C=C)C)CCC([O-])=O)C(=C5C)CCC([O-])=O.[H+].[H+].C6=NC=CC=C6.C7=NC=CC=C7.[Fe++]
• InChI: 1S/C33H34N4O6.2C5H5N.Fe/c1-7-20-16(3)26-13-24-17(4)22(9-11-30(38)39)27(34-24)15-28-23(10-12-31(40)41)18(5)25(35-28)14-29-21(8-2)19(6)33(42,37-29)43-32(20)36-26;2*1-2-4-6-5-3-1;/h7-8,13-15,42H,1-2,9-12H2,3-6H3,(H4,34,35,36,37,38,39,40,41);2*1-5H;/q;;;+2/p-2
• InChIKey: PPRKNKUFAWBGMY-UHFFFAOYSA-L

Properties

• Boiling point: 897.6°C at 760 mmHg (Cal.)
• Flash point: 496.7°C (Cal.)