3,9-diacetyloxy-1,4,7,10-tetramethyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid

Systemtic Name: 3,9-diacetyloxy-1,4,7,10-tetramethyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-2-carboxylic acid Openeye Name: 3,9-diacetoxy-1,4,7,10-tetramethyl-6-oxo-benzo[b][1,4]benzodioxepine-2-carboxylic acid CAS Name: 3,9-diacetyloxy-1,4,7,10-tetramethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid IUPAC Name: 3,9-diacetyloxy-1,4,7,10-tetramethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid Traditional Name: 3,9-diacetoxy-6-keto-1,4,7,10-tetramethyl-benzo[b][1,4]benzodioxepin-2-carboxylic acid Formula: C22H20O9 MolecularWeight: 428.3888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)OC(=O)C)C(=O)O)C)C)OC(=O)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)OC(=O)C)C(=O)O)C)C)OC(=O)C

InChI

InChI=1S/C22H20O9/c1-8-7-14(28-12(5)23)9(2)17-15(8)22(27)31-20-11(4)18(29-13(6)24)16(21(25)26)10(3)19(20)30-17/h7H,1-6H3,(H,25,26)