4-but-3-ynoxy-3-methoxy-benzoate

Systemtic Name: 4-but-3-ynoxy-3-methoxy-benzoate Openeye Name: 4-but-3-ynoxy-3-methoxy-benzoate CAS Name: 4-but-3-ynoxy-3-methoxybenzoate IUPAC Name: 4-but-3-ynoxy-3-methoxybenzoate Traditional Name: 4-but-3-ynoxy-3-methoxy-benzoate Formula: C12H11O4- MolecularWeight: 219.21334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])OCCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])OCCC#C

InChI

InChI=1S/C12H12O4/c1-3-4-7-16-10-6-5-9(12(13)14)8-11(10)15-2/h1,5-6,8H,4,7H2,2H3,(H,13,14)/p-1