3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 4-bromanylbenzoate

Systemtic Name: 3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 4-bromanylbenzoate Openeye Name: 3-(6,7-dimethoxy-1-oxo-isochromen-3-yl)propyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 3-(6,7-dimethoxy-1-oxo-2-benzopyran-3-yl)propyl ester IUPAC Name: 3-(6,7-dimethoxy-1-oxoisochromen-3-yl)propyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 3-(1-keto-6,7-dimethoxy-isochromen-3-yl)propyl ester Formula: C21H19BrO6 MolecularWeight: 447.27596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(OC2=O)CCCOC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(OC2=O)CCCOC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H19BrO6/c1-25-18-11-14-10-16(28-21(24)17(14)12-19(18)26-2)4-3-9-27-20(23)13-5-7-15(22)8-6-13/h5-8,10-12H,3-4,9H2,1-2H3