methyl 2-(3-oxidanylprop-1-ynyl)-3-propan-2-yl-benzoate

Systemtic Name: methyl 2-(3-oxidanylprop-1-ynyl)-3-propan-2-yl-benzoate Openeye Name: methyl 2-(3-hydroxyprop-1-ynyl)-3-isopropyl-benzoate CAS Name: 2-(3-hydroxyprop-1-ynyl)-3-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-(3-hydroxyprop-1-ynyl)-3-propan-2-ylbenzoate Traditional Name: 2-(3-hydroxyprop-1-ynyl)-3-isopropyl-benzoic acid methyl ester Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1C#CCO)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=CC(=C1C#CCO)C(=O)OC

InChI

InChI=1S/C14H16O3/c1-10(2)11-6-4-7-13(14(16)17-3)12(11)8-5-9-15/h4,6-7,10,15H,9H2,1-3H3