[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] benzoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] benzoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-chromen-7-yl] benzoate CAS Name: benzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] benzoate Traditional Name: benzoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C27H22O6 MolecularWeight: 442.45998

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)OCCO4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22O6/c1-2-6-19-13-20-24(15-23(19)33-27(29)17-7-4-3-5-8-17)32-16-21(26(20)28)18-9-10-22-25(14-18)31-12-11-30-22/h3-5,7-10,13-16H,2,6,11-12H2,1H3