| Properties | Image |
|---|
| MNX_ID | MNXM1180831 |
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| reference | envipathM:...40014dfdae01 |
| formula | C19H15ClNO8 |
| global charge | -1 |
| mol weight | 420.781 |
| InChIKey | GFOHUDZUHGMREI-UHFFFAOYSA-M |
| InChI | InChI=1S/C19H16ClNO8/c1-29-12-6-10-13(16(24)19(27)28)11(7-22)21(14(10)17(25)15(12)23)18(26)8-2-4-9(20)5-3-8/h2-6,16,22-25H,7H2,1H3,(H,27,28)/p-1 |
| SMILES | COC1=CC2=C(C(O)=C1O)N(C(=O)C1=CC=C(Cl)C=C1)C(CO)=C2C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C19H16ClNO8/c1-29-12-6-10-13(16(24)19(27)28)11(7-22)21(14(10)17(25)15(12)23)18(26)8-2-4-9(20)5-3-8/h2-6,16,22-25H,7H2,1H3,(H,27,28)/t16? |
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| SMILES (mnx) | [CH3:1][O:29][C:12]1=[C:15]([OH:23])[C:17]([OH:25])=[C:14]2[C:10](=[CH:6]1)[C:13]([CH:16]([C:19](=[O:27])[OH:28])[OH:24])=[C:11]([CH2:7][OH:22])[N:21]2[C:18]([C:8]1=[CH:3][CH:5]=[C:9]([Cl:20])[CH:4]=[CH:2]1)=[O:26] |
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