[2-ethynyl-4-(hydroxymethyl)-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-ethynyl-4-(hydroxymethyl)-6-methoxy-phenyl] ethanoate Openeye Name: [2-ethynyl-4-(hydroxymethyl)-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-ethynyl-4-(hydroxymethyl)-6-methoxyphenyl] ester IUPAC Name: [2-ethynyl-4-(hydroxymethyl)-6-methoxyphenyl] acetate Traditional Name: acetic acid (2-ethynyl-6-methoxy-4-methylol-phenyl) ester Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C#C)CO)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C#C)CO)OC

InChI

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