Mol:
10097-84-4.mol by:chem960.com
ChemDraw08031019472D
…………
4 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7201 1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3603 2.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0008 1.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0011 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3601 3.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0003 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7196 4.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
4 7 2 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 3 2 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 12 1 0 0 0 0
17 18 1 0 0 0 0
18 7 1 0 0 0 0
14 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
20 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
23 26 1 0 0 0 0
26 13 2 0 0 0 0
M END
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罗通定片 MDL:
MFCD00214191
罗通定片 InChIKey:
AEQDJSLRWYMAQI-UHFFFAOYSA-N
罗通定片 Inchi:
1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3
罗通定片 SMILES:
COC1=CC=C2CC3N(CC2=C1OC)CCC1=CC(=C(C=C31)OC)OC