methyl 2-oxidanyl-5-(4-oxidanylbut-1-ynyl)benzoate

Systemtic Name: methyl 2-oxidanyl-5-(4-oxidanylbut-1-ynyl)benzoate Openeye Name: methyl 2-hydroxy-5-(4-hydroxybut-1-ynyl)benzoate CAS Name: 2-hydroxy-5-(4-hydroxybut-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-(4-hydroxybut-1-ynyl)benzoate Traditional Name: 2-hydroxy-5-(4-hydroxybut-1-ynyl)benzoic acid methyl ester Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O4/c1-16-12(15)10-8-9(4-2-3-7-13)5-6-11(10)14/h5-6,8,13-14H,3,7H2,1H3