methyl 5-methyl-2-(3-oxidanylprop-1-ynyl)benzoate

Systemtic Name: methyl 5-methyl-2-(3-oxidanylprop-1-ynyl)benzoate Openeye Name: methyl 2-(3-hydroxyprop-1-ynyl)-5-methyl-benzoate CAS Name: 2-(3-hydroxyprop-1-ynyl)-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-(3-hydroxyprop-1-ynyl)-5-methylbenzoate Traditional Name: 2-(3-hydroxyprop-1-ynyl)-5-methyl-benzoic acid methyl ester Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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