Vat Green 12
[CAS# 6661-46-7]

Identification

• Name: Vat Green 12
• Molecular Formula: C₄₃H₂₁ClN₄O₅
• Molecular Weight: 709.12
• CAS Registry Number: 6661-46-7
• SMILES: C3=C9C(=C2NC1=C(C=C(C=C1)Cl)C(C2=C3NC5=C4C=C7C(=CC4=NC(=N5)C6=CC=CC=C6)C(C8=C(C7=O)C=CC=C8)=O)=O)C(C%10=C(C9=O)C=CC=C%10)=O
• InChI: 1S/C43H21ClN4O5/c44-21-14-15-31-28(16-21)41(53)35-33(19-30-34(36(35)45-31)40(52)25-13-7-6-12-24(25)39(30)51)47-43-29-17-26-27(38(50)23-11-5-4-10-22(23)37(26)49)18-32(29)46-42(48-43)20-8-2-1-3-9-20/h1-19H,(H,45,53)(H,46,47,48)
• InChIKey: LYXQXACEQGZEBR-UHFFFAOYSA-N

Properties

• Density: 1.536g/cm³ (Cal.)