methyl (2R,3S,6R)-6-heptyl-4-oxidanylidene-2-phenyl-oxane-3-carboxylate

Systemtic Name: methyl (2R,3S,6R)-6-heptyl-4-oxidanylidene-2-phenyl-oxane-3-carboxylate Openeye Name: methyl (2R,3S,6R)-6-heptyl-4-oxo-2-phenyl-tetrahydropyran-3-carboxylate CAS Name: (2R,3S,6R)-6-heptyl-4-oxo-2-phenyl-3-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,6R)-6-heptyl-4-oxo-2-phenyloxane-3-carboxylate Traditional Name: (2R,3S,6R)-6-heptyl-4-keto-2-phenyl-tetrahydropyran-3-carboxylic acid methyl ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(=O)C(C(O1)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCC[C@@H]1CC(=O)[C@H]([C@@H](O1)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H28O4/c1-3-4-5-6-10-13-16-14-17(21)18(20(22)23-2)19(24-16)15-11-8-7-9-12-15/h7-9,11-12,16,18-19H,3-6,10,13-14H2,1-2H3/t16-,18-,19+/m1/s1