methyl 4-methyl-3-(3-oxidanylprop-1-ynyl)benzoate

Systemtic Name: methyl 4-methyl-3-(3-oxidanylprop-1-ynyl)benzoate Openeye Name: methyl 3-(3-hydroxyprop-1-ynyl)-4-methyl-benzoate CAS Name: 3-(3-hydroxyprop-1-ynyl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(3-hydroxyprop-1-ynyl)-4-methylbenzoate Traditional Name: 3-(3-hydroxyprop-1-ynyl)-4-methyl-benzoic acid methyl ester Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)C#CCO

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)C#CCO

InChI

InChI=1S/C12H12O3/c1-9-5-6-11(12(14)15-2)8-10(9)4-3-7-13/h5-6,8,13H,7H2,1-2H3