methyl 6-(5-methylfuran-2-yl)-4-oxidanyl-hept-2-ynoate

Systemtic Name: methyl 6-(5-methylfuran-2-yl)-4-oxidanyl-hept-2-ynoate Openeye Name: methyl 4-hydroxy-6-(5-methyl-2-furyl)hept-2-ynoate CAS Name: 4-hydroxy-6-(5-methyl-2-furanyl)-2-heptynoic acid methyl ester IUPAC Name: methyl 4-hydroxy-6-(5-methylfuran-2-yl)hept-2-ynoate Traditional Name: 4-hydroxy-6-(5-methyl-2-furyl)hept-2-ynoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)CC(C#CC(=O)OC)O

Isomeric SMILES

CC1=CC=C(O1)C(C)CC(C#CC(=O)OC)O

InChI

InChI=1S/C13H16O4/c1-9(12-6-4-10(2)17-12)8-11(14)5-7-13(15)16-3/h4,6,9,11,14H,8H2,1-3H3