Mol:
15178-76-4.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0
2.7193 10.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 12.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 13.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 14.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 15.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8686 6.0697 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
6 7 2 0 0 0 0
6 8 2 0 0 0 0
6 9 1 0 0 0 0
2 10 1 0 0 0 0
10 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
2 18 1 0 0 0 0
M CHG 1 2 1
M CHG 1 9 -1
M END
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3-(N,N-二甲基辛基铵)丙烷-1-磺酸内盐 MDL: MFCD00036912
3-(N,N-二甲基辛基铵)丙烷-1-磺酸内盐 InChIKey: QZRAABPTWGFNIU-UHFFFAOYSA-N
3-(N,N-二甲基辛基铵)丙烷-1-磺酸内盐 Inchi: 1S/C13H29NO3S/c1-4-5-6-7-8-9-11-14(2,3)12-10-13-18(15,16)17/h4-13H2,1-3H3
3-(N,N-二甲基辛基铵)丙烷-1-磺酸内盐 SMILES: S(C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(=O)(=O)[O-]