| Properties | Image |
MNX_ID | MNXM731486 |
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reference | sabiorkM:24743 |
formula | C12H16O6 |
global charge | 0 |
mol weight | 256.254 |
InChIKey | NEZJDVYDSZTRFS-UHFFFAOYSA-N |
InChI | InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2 |
SMILES | OCC1OC(OC2=CC=CC=C2)C(O)C(O)C1O |
MNX internals
InChI (mnx) | InChI=1/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8?,9?,10?,11?,12? |
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SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:7]([O:17][CH:12]2[CH:11]([OH:16])[CH:10]([OH:15])[CH:9]([OH:14])[CH:8]([CH2:6][OH:13])[O:18]2)[CH:5]=[CH:3]1 |
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