Chlorophyllin b
[CAS# 13962-39-5]

Identification

• Name: Chlorophyllin b
• Synonyms: Chlorophyllin B
• Molecular Formula: C₃₄H₃₂MgN₄O₇
• Molecular Weight: 632.95
• CAS Registry Number: 13962-39-5
• SMILES: N1=C3C(=C(C1=C(C5=NC(=CC2=C(C(=C([N-]2)C=C4[N-]C(=C3)C(=C4C=O)CC)C=C)C)C(C5CCC([O-])=O)C)CC([O-])=O)C([O-])=O)C.[H+].[H+].[H+].[Mg++]
• InChI: 1S/C34H34N4O7.Mg/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H5,35,36,37,38,39,40,41,42,43,44,45);/q;+2/p-2
• InChIKey: XYVUTWHYXOKLHS-UHFFFAOYSA-L

Properties

• Boiling point: 790°C at 760 mmHg (Cal.)
• Flash point: 431.6°C (Cal.)