8-chloranyl-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-4,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-10-carbaldehyde

Systemtic Name: 8-chloranyl-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-4,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-10-carbaldehyde Openeye Name: 8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde CAS Name: 8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methyl-1-oxobut-2-enyl)-6-oxo-10-benzo[b][1,4]benzodioxepincarboxaldehyde IUPAC Name: 8-chloro-4,9-dihydroxy-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde Traditional Name: 8-chloro-4,9-dihydroxy-6-keto-3-methoxy-1,7-dimethyl-2-(3-methylbut-2-enoyl)benzo[b][1,4]benzodioxepin-10-carbaldehyde Formula: C22H19ClO8 MolecularWeight: 446.83446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1Cl)O)C=O)OC3=C(C(=C(C(=C3C)C(=O)C=C(C)C)OC)O)OC2=O

Isomeric SMILES

CC1=C2C(=C(C(=C1Cl)O)C=O)OC3=C(C(=C(C(=C3C)C(=O)C=C(C)C)OC)O)OC2=O

InChI

InChI=1S/C22H19ClO8/c1-8(2)6-12(25)13-10(4)18-21(17(27)20(13)29-5)31-22(28)14-9(3)15(23)16(26)11(7-24)19(14)30-18/h6-7,26-27H,1-5H3