(E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-en-1-one Formula: C19H17BrO5 MolecularWeight: 405.23928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3)Br)O

InChI

InChI=1S/C19H17BrO5/c1-23-18-10-12(9-14(20)19(18)22)3-5-15(21)13-4-6-16-17(11-13)25-8-2-7-24-16/h3-6,9-11,22H,2,7-8H2,1H3/b5-3+