(2,3,6-trimethylphenyl) 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (2,3,6-trimethylphenyl) 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C20H23BrO4 MolecularWeight: 407.29822

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OC2=C(C=CC(=C2C)C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OC2=C(C=CC(=C2C)C)C)OC

InChI

InChI=1S/C20H23BrO4/c1-6-9-24-19-16(21)10-15(11-17(19)23-5)20(22)25-18-13(3)8-7-12(2)14(18)4/h7-8,10-11H,6,9H2,1-5H3