Mol:
748090-00-8.mol by:chem960.com
ChemDraw08031019472D
…………
0 0
4.5981 1.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9939 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
1 14 1 0
2 11 1 0
3 11 2 0
4 5 1 0
4 8 1 0
5 6 1 0
5 11 1 0
6 7 1 0
7 8 2 0
7 9 1 0
8 10 1 0
9 12 2 0
10 13 2 0
12 13 1 0
M END
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(s)-(9ci)-2,3-二氢-5-甲氧基-1H-吲哚-2-羧酸 InChIKey: CCZRDJIWJYSWCN-UHFFFAOYSA-N
(s)-(9ci)-2,3-二氢-5-甲氧基-1H-吲哚-2-羧酸 Inchi: 1S/C10H11NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-4,9,11H,5H2,1H3,(H,12,13)
(s)-(9ci)-2,3-二氢-5-甲氧基-1H-吲哚-2-羧酸 SMILES: O(C)C1C=CC2=C(C=1)CC(C(=O)O)N2