3-[(3R,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-yl]oxy-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(3R,6R)-6-ethenyl-2,2,6-trimethyl-oxan-3-yl]oxy-3-oxidanylidene-propanoic acid Openeye Name: 3-oxo-3-[(3R,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl]oxy-propanoic acid CAS Name: 3-[[(3R,6R)-6-ethenyl-2,2,6-trimethyl-3-oxanyl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl]oxy-3-oxopropanoic acid Traditional Name: 3-keto-3-[(3R,6R)-2,2,6-trimethyl-6-vinyl-tetrahydropyran-3-yl]oxy-propionic acid Formula: C13H20O5 MolecularWeight: 256.2949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O5/c1-5-13(4)7-6-9(12(2,3)18-13)17-11(16)8-10(14)15/h5,9H,1,6-8H2,2-4H3,(H,14,15)/t9-,13+/m1/s1