2-[(2S,3R,6R)-3-methyl-6-[(E)-2-oxidanylidenepent-3-enyl]oxan-2-yl]ethanoic acid

Systemtic Name: 2-[(2S,3R,6R)-3-methyl-6-[(E)-2-oxidanylidenepent-3-enyl]oxan-2-yl]ethanoic acid Openeye Name: 2-[(2S,3R,6R)-3-methyl-6-[(E)-2-oxopent-3-enyl]tetrahydropyran-2-yl]acetic acid CAS Name: 2-[(2S,3R,6R)-3-methyl-6-[(E)-2-oxopent-3-enyl]-2-oxanyl]acetic acid IUPAC Name: 2-[(2S,3R,6R)-3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]acetic acid Traditional Name: 2-[(2S,3R,6R)-6-[(E)-2-ketopent-3-enyl]-3-methyl-tetrahydropyran-2-yl]acetic acid Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)CC1CCC(C(O1)CC(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4/c1-3-4-10(14)7-11-6-5-9(2)12(17-11)8-13(15)16/h3-4,9,11-12H,5-8H2,1-2H3,(H,15,16)/b4-3+/t9-,11-,12+/m1/s1