(E)-3-anthracen-9-yl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one

Systemtic Name: (E)-3-anthracen-9-yl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Openeye Name: (E)-3-(9-anthryl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one CAS Name: (E)-3-(9-anthracenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propen-1-one IUPAC Name: (E)-3-anthracen-9-yl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Traditional Name: (E)-3-(9-anthryl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Formula: C26H20O3 MolecularWeight: 380.4352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)C=CC3=C4C=CC=CC4=CC5=CC=CC=C53)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)/C=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)OC1

InChI

InChI=1S/C26H20O3/c27-24(20-10-13-25-26(17-20)29-15-5-14-28-25)12-11-23-21-8-3-1-6-18(21)16-19-7-2-4-9-22(19)23/h1-4,6-13,16-17H,5,14-15H2/b12-11+