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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] 3,4,5-trimethoxybenzoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-chromen-7-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propylchromen-7-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-6-propyl-chromen-7-yl] ester Formula: C31H30O9 MolecularWeight: 546.5645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30O9/c1-5-7-19-12-21-25(16-24(19)40-31(33)20-14-27(34-2)30(36-4)28(15-20)35-3)39-17-22(29(21)32)18-8-9-23-26(13-18)38-11-6-10-37-23/h8-9,12-17H,5-7,10-11H2,1-4H3