methyl 4-[(2R,6R)-4-methylidene-6-(2-oxidanylideneethyl)oxan-2-yl]but-2-ynoate

Systemtic Name: methyl 4-[(2R,6R)-4-methylidene-6-(2-oxidanylideneethyl)oxan-2-yl]but-2-ynoate Openeye Name: methyl 4-[(2R,6R)-4-methylene-6-(2-oxoethyl)tetrahydropyran-2-yl]but-2-ynoate CAS Name: 4-[(2R,6R)-4-methylene-6-(2-oxoethyl)-2-oxanyl]-2-butynoic acid methyl ester IUPAC Name: methyl 4-[(2R,6R)-4-methylidene-6-(2-oxoethyl)oxan-2-yl]but-2-ynoate Traditional Name: 4-[(2R,6R)-6-(2-ketoethyl)-4-methylene-tetrahydropyran-2-yl]but-2-ynoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCC1CC(=C)CC(O1)CC=O

Isomeric SMILES

COC(=O)C#CC[C@H]1CC(=C)C[C@@H](O1)CC=O

InChI

InChI=1S/C13H16O4/c1-10-8-11(4-3-5-13(15)16-2)17-12(9-10)6-7-14/h7,11-12H,1,4,6,8-9H2,2H3/t11-,12-/m0/s1