[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] benzoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxidanylidene-chromen-7-yl] benzoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-chromen-7-yl] benzoate CAS Name: benzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-oxochromen-7-yl] benzoate Traditional Name: benzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-4-keto-chromen-7-yl] ester Formula: C27H22O6 MolecularWeight: 442.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC=CC=C5

InChI

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