Mol:
3588-17-8.mol by:chem960.com
ChemDraw08031019472D
…………
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
2 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 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
M END
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反式,反式-己二烯二酸 MDL: MFCD00002702
反式,反式-己二烯二酸 InChIKey: TXXHDPDFNKHHGW-ZPUQHVIOSA-N
反式,反式-己二烯二酸 Inchi: 1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
反式,反式-己二烯二酸 SMILES: O([H])C(/C(/[H])=C(\[H])/C(/[H])=C(\[H])/C(=O)O[H])=O
反式,反式-己二烯二酸 BRN: 1722248