6,7-Dihydro-1,2,3,10-Tetramethoxy-7-[Methyl(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]-(7S)-Benzo[a]Heptalen-9(5H)-One
[CAS# 108964-31-4]

Identification

• Name: 6,7-Dihydro-1,2,3,10-Tetramethoxy-7-[Methyl(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]-(7S)-Benzo[a]Heptalen-9(5H)-One
• Synonyms: (7S)-1,2,3,10-Tetramethoxy-7-[Methyl-(7-Nitrobenzofurazan-4-Yl)Amino]-6,7-Dihydro-5H-Benzo[G]Heptalen-9-One; (S)-6,7-Dihydro-1,2,3,10-Tetramethoxy-7-(Methyl(7-Nitro-4-Benzofurazanyl)Amino)Benzo(A)Heptalen-9(5H)-One; Benzo(A)Heptalen-9(5H)-One, 6,7-Dihydro-1,2,3,10-Tetramethoxy-7-(Methyl(7-Nitro-4-Benzofurazanyl)Amino)-, (S)-
• Molecular Formula: C₂₇H₂₆N₄O₈
• Molecular Weight: 534.52
• CAS Registry Number: 108964-31-4
• SMILES: [C@@H]5(N(C1=CC=C([N+]([O-])=O)C2=NON=C12)C)C3=CC(=O)C(=CC=C3C4=C(OC)C(=C(OC)C=C4CC5)OC)OC
• InChI: 1S/C27H26N4O8/c1-30(18-9-10-19(31(33)34)25-24(18)28-39-29-25)17-8-6-14-12-22(36-3)26(37-4)27(38-5)23(14)15-7-11-21(35-2)20(32)13-16(15)17/h7,9-13,17H,6,8H2,1-5H3/t17-/m0/s1
• InChIKey: DQARLXAFVVPTDP-KRWDZBQOSA-N

Properties

• Density: 1.428g/cm³ (Cal.)
• Boiling point: 812.864°C at 760 mmHg (Cal.)
• Flash point: 445.404°C (Cal.)