7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-chromen-4-one

Systemtic Name: 7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-chromen-4-one Openeye Name: 7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-chromen-4-one CAS Name: 7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-1-benzopyran-4-one IUPAC Name: 7-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propylchromen-4-one Traditional Name: 7-(3,4-dichlorobenzyl)oxy-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-propyl-chromone Formula: C28H24Cl2O5 MolecularWeight: 511.39316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OCC5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C28H24Cl2O5/c1-2-4-19-12-20-26(14-25(19)34-15-17-5-7-22(29)23(30)11-17)35-16-21(28(20)31)18-6-8-24-27(13-18)33-10-3-9-32-24/h5-8,11-14,16H,2-4,9-10,15H2,1H3