(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C21H17ClO7 MolecularWeight: 416.80848

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O)Cl)OC1

InChI

InChI=1S/C21H17ClO7/c22-16-6-12(7-18-21(16)27-5-1-4-26-18)8-19(24)28-11-13-9-20(25)29-17-10-14(23)2-3-15(13)17/h2-3,6-7,9-10,23H,1,4-5,8,11H2