Mol:
428871-08-3.mol by:chem960.com
ChemDraw08031019472D
…………
1.9343 2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3643 2.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5043 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.3597 0.0000 C 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
2 4 2 0 0 0 0
2 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
8 11 1 0 0 0 0
8 12 1 0 0 0 0
12 13 1 0 0 0 0
M END
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3-乙基-3-羟戊基甲烷磺酸盐 InChIKey: UTRJRIIRRBWEMQ-UHFFFAOYSA-N
3-乙基-3-羟戊基甲烷磺酸盐 Inchi: InChI=1S/C8H18O4S/c1-4-8(9,5-2)6-7-12-13(3,10)11/h9H,4-7H2,1-3H3
3-乙基-3-羟戊基甲烷磺酸盐 SMILES: CCC(CC)(CCOS(=O)(=O)C)O