(7alpha,8beta,8aalpha,9aalpha)-7,8,8a,9a-Tetrahydro-3-Nitrobenzo(10,11)Chryseno(3,4-b)Oxirene-7,8-Diol
[CAS# 149559-16-0]

Identification

• Name: (7alpha,8beta,8aalpha,9aalpha)-7,8,8a,9a-Tetrahydro-3-Nitrobenzo(10,11)Chryseno(3,4-b)Oxirene-7,8-Diol
• Synonyms: 3-Nitrobenzo(A)Pyrene-7,8-Diol-9,10-Epoxide; 7,8,8A,9A-Tetrahydro-3-Nitrobenzo(10,11)Chryseno(3,4-B)Oxirene-7,8-Diol (7Alpha,8Beta,8Aalpha,9Aalpha)-; Benzo(10,11)Chryseno(3,4-B)Oxirene-7,8-Diol, 7,8,8A,9A-Tetrahydro-3-Nitro-, (7-Alpha,8-Beta,8A-Alpha,9A-Alpha)-
• Molecular Formula: C₂₀H₁₃NO₅
• Molecular Weight: 347.33
• CAS Registry Number: 149559-16-0
• SMILES: [C@H]12O[C@H]1[C@@H](O)[C@H](O)C6=C2C4=C5C3=C(C(=CC=C3C=C4)[N+]([O-])=O)C=CC5=C6
• InChI: 1S/C20H13NO5/c22-17-12-7-9-2-4-10-13(21(24)25)6-3-8-1-5-11(15(9)14(8)10)16(12)19-20(26-19)18(17)23/h1-7,17-20,22-23H/t17-,18+,19-,20+/m1/s1
• InChIKey: IRRRBEKHSFTNCO-WCIQWLHISA-N

Properties

• Density: 1.699g/cm³ (Cal.)
• Boiling point: 658.333°C at 760 mmHg (Cal.)
• Flash point: 351.947°C (Cal.)