(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-propanoylphenoxy)ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H19BrO6 MolecularWeight: 435.26526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C20H19BrO6/c1-2-17(22)13-3-5-15(6-4-13)26-12-20(23)27-11-14-9-18-19(10-16(14)21)25-8-7-24-18/h3-6,9-10H,2,7-8,11-12H2,1H3