SY-096796结构式

中文名称：SY-096796

英文名称：SY-096796

CAS No.：1800468-70-5
分子式：C₇₀H₅₂N₂O₂ 分子量：953.1741

SY-096796 数据

Mol:

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    9.8622   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5301   -6.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    6.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5263   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

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SY-096796 Smile 编码:

OC1C(/C=N/C(C2C=CC=CC=2)C(C2C=CC=CC=2)/N=C/C2=CC3=CC=CC=C3C(=C2O)C2C3=CC=CC=C3C=CC=2CC2C=CC=CC=2)=CC2=CC=CC=C2C=1C1C2=CC=CC=C2C=CC=1CC1C=CC=CC=1

SY-096796 InChi 编码:

1S/C70H52N2O2/c73-69-57(43-53-31-15-19-35-61(53)65(69)63-55(41-47-21-5-1-6-22-47)39-37-49-25-13-17-33-59(49)63)45-71-67(51-27-9-3-10-28-51)68(52-29-11-4-12-30-52)72-46-58-44-54-32-16-20-36-62(54)66(70(58)74)64-56(42-48-23-7-2-8-24-48)40-38-50-26-14-18-34-60(50)64/h1-40,43-46,67-68,73-74H,41-42H2/b71-45+,72-46+

SY-096796 InChiKey 编码:

OUZSJKSLLNGHEV-SQNLQDKTSA-N

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