(6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H15BrO6 MolecularWeight: 407.2121

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC3=C(C=C2Br)OCO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC3=C(C=C2Br)OCO3)O

InChI

InChI=1S/C18H15BrO6/c1-22-15-6-11(2-4-14(15)20)3-5-18(21)23-9-12-7-16-17(8-13(12)19)25-10-24-16/h2-8,20H,9-10H2,1H3/b5-3+