Mol:
3752-25-8.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
2.7193 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 O 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 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 2 1 0 0 0 0
3 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
10 12 1 0 0 0 0
M END
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邻氯肉桂酸 MDL:
MFCD00004372
邻氯肉桂酸 InChIKey:
KJRRTHHNKJBVBO-AATRIKPKSA-N
邻氯肉桂酸 Inchi:
1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
邻氯肉桂酸 SMILES:
ClC1=C([H])C([H])=C([H])C([H])=C1/C(/[H])=C(\[H])/C(=O)O[H]
邻氯肉桂酸 BRN:
1365198