(E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(7-bromanyl-1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(7-bromo-1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one Formula: C18H15BrO5 MolecularWeight: 391.2127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C=CC2=CC3=C(C(=C2)Br)OCO3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC3=C(C(=C2)Br)OCO3)OC

InChI

InChI=1S/C18H15BrO5/c1-21-12-4-5-13(16(9-12)22-2)15(20)6-3-11-7-14(19)18-17(8-11)23-10-24-18/h3-9H,10H2,1-2H3/b6-3+