methyl (2S,5R)-5-methyl-2-nonyl-6-oxidanylidene-oxane-2-carboxylate

Systemtic Name: methyl (2S,5R)-5-methyl-2-nonyl-6-oxidanylidene-oxane-2-carboxylate Openeye Name: methyl (2S,5R)-5-methyl-2-nonyl-6-oxo-tetrahydropyran-2-carboxylate CAS Name: (2S,5R)-5-methyl-2-nonyl-6-oxo-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,5R)-5-methyl-2-nonyl-6-oxooxane-2-carboxylate Traditional Name: (2S,5R)-6-keto-5-methyl-2-nonyl-tetrahydropyran-2-carboxylic acid methyl ester Formula: C17H30O4 MolecularWeight: 298.4177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(C(=O)O1)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H30O4/c1-4-5-6-7-8-9-10-12-17(16(19)20-3)13-11-14(2)15(18)21-17/h14H,4-13H2,1-3H3/t14-,17+/m1/s1