Mol:
13269-73-3.mol by:chem960.com
ChemDraw08031019472D
…………
3.0675 7.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0675 6.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7078 9.9661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7078 11.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2778 9.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1378 9.9661 0.0000 N 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 2 1 0 0 0 0
5 7 2 0 0 0 0
4 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 12 1 0 0 0 0
12 13 2 0 0 0 0
13 8 1 0 0 0 0
11 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
M END
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3-甲基-1-(4`-磺酸氨苯基)-5-吡唑啉酮 MDL:
MFCD00044062
3-甲基-1-(4`-磺酸氨苯基)-5-吡唑啉酮 InChIKey:
GLOOJKUWIGSFGC-UHFFFAOYSA-N
3-甲基-1-(4`-磺酸氨苯基)-5-吡唑啉酮 Inchi:
InChI=1S/C10H11N3O3S/c1-7-6-10(14)13(12-7)8-2-4-9(5-3-8)17(11,15)16/h2-5H,6H2,1H3,(H2,11,15,16)
3-甲基-1-(4`-磺酸氨苯基)-5-吡唑啉酮 SMILES:
CC1CC(=O)N(C2C=CC(S(N)(=O)=O)=CC=2)N=1