10-methanoyl-1,7-dimethyl-3-oxidanidyl-4-[[(E)-4-oxidanidyl-4-oxidanylidene-but-2-enoyl]oxymethyl]-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylate

Systemtic Name: 10-methanoyl-1,7-dimethyl-3-oxidanidyl-4-[[(E)-4-oxidanidyl-4-oxidanylidene-but-2-enoyl]oxymethyl]-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylate Openeye Name: 10-formyl-9-hydroxy-1,7-dimethyl-3-oxido-4-[[(E)-4-oxido-4-oxo-but-2-enoyl]oxymethyl]-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylate CAS Name: 10-formyl-9-hydroxy-1,7-dimethyl-3-oxido-4-[[(E)-4-oxido-1,4-dioxobut-2-enoxy]methyl]-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylate IUPAC Name: 10-formyl-9-hydroxy-1,7-dimethyl-3-oxido-4-[[(E)-4-oxido-4-oxobut-2-enoyl]oxymethyl]-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate Traditional Name: 10-formyl-9-hydroxy-6-keto-4-[[(E)-4-keto-4-oxido-but-2-enoyl]oxymethyl]-1,7-dimethyl-3-oxido-benzo[b][1,4]benzodioxepin-2-carboxylate Formula: C22H13O12-3 MolecularWeight: 469.33142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)C=CC(=O)[O-])[O-])C(=O)[O-])C)C=O)O

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3COC(=O)/C=C/C(=O)[O-])[O-])C(=O)[O-])C)C=O)O

InChI

InChI=1S/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/p-3/b4-3+