Mol:
106754-20-5.mol by:chem960.com
ChemDraw08031019472D
…………
0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8006 3.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4396 4.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4392 6.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 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
6 7 2 0 0 0 0
7 2 1 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 11 2 0 0 0 0
11 6 1 0 0 0 0
11 12 1 0 0 0 0
4 13 2 0 0 0 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。
瑞香素 MDL: MFCD08693013
瑞香素 InChIKey: YBGKGTOOPNQOKH-UHFFFAOYSA-N
瑞香素 Inchi: InChI=1S/C9H6O4/c10-6-3-1-2-5-7(11)4-8(12)13-9(5)6/h1-4,10-11H
瑞香素 SMILES: OC1C2C=CC=C(O)C=2OC(=O)C=1