Mol:
946417-21-6.mol by:chem960.com
ChemDraw08031019472D
…………
0 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1487 0.3591 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.7352 1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5601 1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8630 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5754 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8630 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2877 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5754 -1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2877 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0000 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0000 -1.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7124 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7124 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
2 4 1 0
2 5 1 0
2 6 1 0
3 7 1 0
3 8 2 0
4 9 2 0
4 10 1 0
4 11 1 0
5 12 2 0
5 13 1 0
5 14 1 0
7 15 2 0
8 16 1 0
15 17 1 0
15 18 1 0
16 17 2 0
18 19 2 0
18 20 1 0
19 21 1 0
20 22 2 0
21 23 1 0
21 24 2 0
22 24 1 0
23 25 1 0
25 26 2 0
25 27 2 0
25 28 1 0
28 29 2 0
28 30 1 0
29 31 1 0
30 32 2 0
31 33 2 0
31 34 1 0
32 33 1 0
33 35 1 0
34 36 2 0
35 37 2 0
36 37 1 0
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
化合物 T30567 InChIKey: MZVWVRVNMXTDAK-UHFFFAOYSA-N
化合物 T30567 Inchi: 1S/C24H23NO9P2S/c26-24(35(27,28)29,36(30,31)32)16-17-5-3-8-19(13-17)20-9-4-10-22(14-20)25-37(33,34)23-12-11-18-6-1-2-7-21(18)15-23/h1-15,25-26H,16H2,(H2,27,28,29)(H2,30,31,32)
化合物 T30567 SMILES: C(C1=CC=CC(C2C=CC=C(NS(C3C=CC4C=CC=CC=4C=3)(=O)=O)C=2)=C1)C(O)(P(O)(O)=O)P(O)(O)=O