(4E)-4-(3-diphenylphosphanylcyclohexa-2,4-dien-1-ylidene)benzo[h][1,5]benzodioxepin-3-one

Systemtic Name: (4E)-4-(3-diphenylphosphanylcyclohexa-2,4-dien-1-ylidene)benzo[h][1,5]benzodioxepin-3-one Openeye Name: (4E)-4-(3-diphenylphosphanylcyclohexa-2,4-dien-1-ylidene)benzo[h][1,5]benzodioxepin-3-one CAS Name: (4E)-4-(3-diphenylphosphino-1-cyclohexa-2,4-dienylidene)-3-benzo[h][1,5]benzodioxepinone IUPAC Name: (4E)-4-(3-diphenylphosphanylcyclohexa-2,4-dien-1-ylidene)benzo[h][1,5]benzodioxepin-3-one Traditional Name: (4E)-4-(3-diphenylphosphinocyclohexa-2,4-dien-1-ylidene)benzo[h][1,5]benzodioxepin-3-one Formula: C31H23O3P MolecularWeight: 474.486281

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1=C2C(=O)COC3=CC4=CC=CC=C4C=C3O2)P(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C\1C=CC(=C/C1=C/2\C(=O)COC3=CC4=CC=CC=C4C=C3O2)P(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H23O3P/c32-28-21-33-29-19-22-10-7-8-11-23(22)20-30(29)34-31(28)24-12-9-17-27(18-24)35(25-13-3-1-4-14-25)26-15-5-2-6-16-26/h1-11,13-20H,12,21H2/b31-24+