1,7-dimethyl-3,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-10-carbaldehyde

Systemtic Name: 1,7-dimethyl-3,9-bis(oxidanyl)-6-oxidanylidene-benzo[b][1,4]benzodioxepine-10-carbaldehyde Openeye Name: 3,9-dihydroxy-1,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde CAS Name: 3,9-dihydroxy-1,7-dimethyl-6-oxo-10-benzo[b][1,4]benzodioxepincarboxaldehyde IUPAC Name: 3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde Traditional Name: 3,9-dihydroxy-6-keto-1,7-dimethyl-benzo[b][1,4]benzodioxepin-10-carbaldehyde Formula: C16H12O6 MolecularWeight: 300.26288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1OC3=C(C(=CC(=C3C=O)O)C)C(=O)O2)O

Isomeric SMILES

CC1=CC(=CC2=C1OC3=C(C(=CC(=C3C=O)O)C)C(=O)O2)O

InChI

InChI=1S/C16H12O6/c1-7-4-11(19)10(6-17)15-13(7)16(20)21-12-5-9(18)3-8(2)14(12)22-15/h3-6,18-19H,1-2H3