(Q82988399)

English

9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl dichloroacetate

chemical compound

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instance of

type of chemical entity

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1 reference

456.00148738799993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₁₄Cl₂O₉

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canonical SMILES

COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C(O2)OC(OC(=O)C(Cl)Cl)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5[C@H]([C@@H](O[C@@H]5OC4=C1)OC(=O)C(Cl)Cl)O

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Identifiers

InChI

InChI=1S/C19H14Cl2O9/c1-26-7-4-8-11(14-10(7)5-2-3-6(22)9(5)16(24)28-14)12-13(23)19(30-18(12)27-8)29-17(25)15(20)21/h4,12-13,15,18-19,23H,2-3H2,1H3/t12-,13-,18+,19-/m1/s1

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InChIKey

QBYDMRFLKRAJAC-UDORUHSDSA-N

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matched by identifier from

InChIKey

QBYDMRFLKRAJAC-UDORUHSDSA-N

1 reference

1 reference

matched by identifier from

InChIKey

QBYDMRFLKRAJAC-UDORUHSDSA-N

DSSTOX compound identifier

DTXCID001423592

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(Q82988399)

9-Hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-8-yl dichloroacetate

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