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

Systemtic Name: methyl 2,5-bis(3-oxidanylprop-1-ynyl)benzoate Openeye Name: methyl 2,5-bis(3-hydroxyprop-1-ynyl)benzoate CAS Name: 2,5-bis(3-hydroxyprop-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 2,5-bis(3-hydroxyprop-1-ynyl)benzoate Traditional Name: 2,5-bis(3-hydroxyprop-1-ynyl)benzoic acid methyl ester Formula: C14H12O4 MolecularWeight: 244.24268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C#CCO)C#CCO

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C#CCO)C#CCO

InChI

InChI=1S/C14H12O4/c1-18-14(17)13-10-11(4-2-8-15)6-7-12(13)5-3-9-16/h6-7,10,15-16H,8-9H2,1H3