2-bromanyl-5-methoxy-4-propoxy-benzoic acid

Systemtic Name: 2-bromanyl-5-methoxy-4-propoxy-benzoic acid Openeye Name: 2-bromo-5-methoxy-4-propoxy-benzoic acid CAS Name: 2-bromo-5-methoxy-4-propoxybenzoic acid IUPAC Name: 2-bromo-5-methoxy-4-propoxybenzoic acid Traditional Name: 2-bromo-5-methoxy-4-propoxy-benzoic acid Formula: C11H13BrO4 MolecularWeight: 289.12252

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C(=O)O)OC

InChI

InChI=1S/C11H13BrO4/c1-3-4-16-10-6-8(12)7(11(13)14)5-9(10)15-2/h5-6H,3-4H2,1-2H3,(H,13,14)