Mrv0541 05041405552 d 11 11 0 0 0 0 999 V2000型0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 3.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000年代0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 7 4 2 0 0 0 0 7 5 1 0 0 0 0 7 6 1 0 0 0 0 11 6 1 0 0 0 0 11 8 1 0 0 0 0 11 9 2 0 0 0 0 11 10 2 0 0 0 0 M >结束
DB03297 >
drugbank >
操作系统(= O) (= O) CC1 C1 = CC = CC = >
InChI = 1 s / C7H8O3S c8-11 (9、10) 6-7-4-2-1-3-5-7 / h1-5H 6 h2 (H, 8, 9, 10) >
NIXKBAZVOQAHGC-UHFFFAOYSA-N >
C7H8O3S >
172.202 >
172.019414812 >
3 >
19日>
-0.9999999896394485 >
15.991158682834136 >
1 >
1 >
0 >
0 >
phenylmethanesulfonic酸>
-0.97 >
0.9162887659999999 >
-1.60 >
0 >
1 >
1 >
1 >
-0.9846171218180907 >
54.37 >
41.267900000000004 >
2 >
1 >
4.35 e + 00 g / l >
四氢叶酸>
0 >
DB03297 >
EXPT02622 >
实验>
Benzylsulfonic酸>
alpha-Toluenesulfonic酸;Benzenemethanesulfonic酸;Benzylsulfinic酸;Phenylmethanesulfonic酸;Toluene-alpha-sulphonic酸$ $ $ $