Mol:
767-00-0.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0
6.7983 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 0.7850 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 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 3 0 0 0 0
5 8 1 0 0 0 0
8 9 2 0 0 0 0
9 2 1 0 0 0 0
M END
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对氰基酚 MDL:
MFCD00002312
对氰基酚 InChIKey:
CVNOWLNNPYYEOH-UHFFFAOYSA-N
对氰基酚 Inchi:
1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H
对氰基酚 SMILES:
O([H])C1C([H])=C([H])C(C#N)=C([H])C=1[H]
对氰基酚 BRN:
386130