| Properties | Image |
|---|
| MNX_ID | MNXM1187880 |
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| reference | envipathM:...5b6da7d83dfb |
| formula | C12H12Cl4O5 |
| global charge | 0 |
| mol weight | 378.035 |
| InChIKey | OOCKWARMWITZHX-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H12Cl4O5/c13-9-5-4(3-1-2-21-10(19)6(3)17)7(18)8(11(5,14)15)12(9,16)20/h3-6,8-9,17,20H,1-2H2 |
| SMILES | O=C1OCCC(C2C(=O)C3C(O)(Cl)C(Cl)C2C3(Cl)Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl4O5/c13-9-5-4(3-1-2-21-10(19)6(3)17)7(18)8(11(5,14)15)12(9,16)20/h3-6,8-9,17,20H,1-2H2/t3?,4?,5?,6?,8?,9?,12? |
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| SMILES (mnx) | [CH2:1]1[CH2:2][O:21][C:10](=[O:19])[CH:6]([OH:17])[CH:3]1[CH:4]1[CH:5]2[CH:9]([Cl:13])[C:12]([Cl:16])([OH:20])[CH:8]([C:7]1=[O:18])[C:11]2([Cl:14])[Cl:15] |
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