(1,7,8-tricarboxyoxydibenzo-p-dioxin-2-yl) hydrogen carbonate

Systemtic Name: (1,7,8-tricarboxyoxydibenzo-p-dioxin-2-yl) hydrogen carbonate Openeye Name: (1,7,8-tricarboxyoxydibenzo-p-dioxin-2-yl) hydrogen carbonate CAS Name: carbonic acid (1,7,8-tricarboxyoxy-2-dibenzo-p-dioxinyl) ester IUPAC Name: (1,7,8-tricarboxyoxydibenzo-p-dioxin-2-yl) hydrogen carbonate Traditional Name: carbonic acid (1,7,8-tricarboxyoxydibenzo-p-dioxin-2-yl) ester Formula: C16H8O14 MolecularWeight: 424.22632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1OC3=CC(=C(C=C3O2)OC(=O)O)OC(=O)O)OC(=O)O)OC(=O)O

Isomeric SMILES

C1=CC(=C(C2=C1OC3=CC(=C(C=C3O2)OC(=O)O)OC(=O)O)OC(=O)O)OC(=O)O

InChI

InChI=1S/C16H8O14/c17-13(18)27-6-2-1-5-11(12(6)30-16(23)24)26-8-4-10(29-15(21)22)9(28-14(19)20)3-7(8)25-5/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)