Mol:
642-31-9.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0 0 0 0 0
2.7193 4.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 3.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 2.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 2.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 7 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 1 1 0 0 0 0
14 5 1 0 0 0 0
13 15 1 0 0 0 0
15 16 2 0 0 0 0
M END
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9-蒽甲醛 MDL:
MFCD00001254
9-蒽甲醛 InChIKey:
YMNKUHIVVMFOFO-UHFFFAOYSA-N
9-蒽甲醛 Inchi:
1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
9-蒽甲醛 SMILES:
C1=CC2=CC3=CC=CC=C3C(=C2C=C1)C=O
9-蒽甲醛 BRN:
639167