(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H19BrO5 MolecularWeight: 371.22306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C=CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C=C/C1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C16H19BrO5/c1-16(2,3)13(18)9-22-14(19)6-5-10-7-11(17)15(20)12(8-10)21-4/h5-8,20H,9H2,1-4H3/b6-5+