Mol:
17351-75-6.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
6.7983 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 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 2 0 0 0 0
M END
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1,4-环己烷二甲醇二乙烯醚 MDL:
MFCD00080497
1,4-环己烷二甲醇二乙烯醚 InChIKey:
DQNSRQYYCSXZDF-UHFFFAOYSA-N
1,4-环己烷二甲醇二乙烯醚 Inchi:
InChI=1S/C12H20O2/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2/h3-4,11-12H,1-2,5-10H2
1,4-环己烷二甲醇二乙烯醚 SMILES:
C(OCC1CCC(COC=C)CC1)=C