6-S-Hexadecyl-2-Methoxythioascorbic Acid
[CAS# 8065-53-0]

Identification

• Name: 6-S-Hexadecyl-2-Methoxythioascorbic Acid
• Synonyms: 2-Methyl-1,3,5-Trinitro-Benzene; 2,4,6-Trinitro-1,3,5-Triazinane; 1,3,5-Triazine, Hexahydro-1,3,5-Trinitro-, Mixt. With 2-Methyl-1,3,5-Trinitrobenzene; 6-S-Hexadecyl-2-Methoxythioascorbic Acid
• Molecular Formula: C₁₆H₂₃N₂₁O₂₄
• Molecular Weight: 893.48
• CAS Registry Number: 8065-53-0
• SMILES: N1C(NC(NC1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.C2=C([N+]([O-])=O)C=C([N+]([O-])=O)C(=C2[N+]([O-])=O)C.O=[N+]([O-])C3NC(NC(N3)[N+]([O-])=O)[N+]([O-])=O.O=[N+]([O-])C4NC(NC(N4)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C7H5N3O6.3C3H6N6O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16;3*10-7(11)1-4-2(8(12)13)6-3(5-1)9(14)15/h2-3H,1H3;3*1-6H
• InChIKey: XOAXPOWWXKXEOY-UHFFFAOYSA-N

Properties

• Boiling point: 339.2°C at 760 mmHg (Cal.)
• Flash point: 167.1°C (Cal.)