methyl (1R,3R,5S)-3-butanoyl-1,3-dimethyl-5-oxidanyl-2-oxidanylidene-5-propyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,3R,5S)-3-butanoyl-1,3-dimethyl-5-oxidanyl-2-oxidanylidene-5-propyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,3R,5S)-3-butanoyl-5-hydroxy-1,3-dimethyl-2-oxo-5-propyl-cyclohexanecarboxylate CAS Name: (1R,3R,5S)-5-hydroxy-1,3-dimethyl-2-oxo-3-(1-oxobutyl)-5-propyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,3R,5S)-3-butanoyl-5-hydroxy-1,3-dimethyl-2-oxo-5-propylcyclohexane-1-carboxylate Traditional Name: (1R,3R,5S)-3-butyryl-5-hydroxy-2-keto-1,3-dimethyl-5-propyl-cyclohexanecarboxylic acid methyl ester Formula: C17H28O5 MolecularWeight: 312.40122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CC(CC(C1=O)(C)C(=O)OC)(CCC)O)C

Isomeric SMILES

CCCC(=O)[C@]1(C[C@](C[C@@](C1=O)(C)C(=O)OC)(CCC)O)C

InChI

InChI=1S/C17H28O5/c1-6-8-12(18)15(3)10-17(21,9-7-2)11-16(4,13(15)19)14(20)22-5/h21H,6-11H2,1-5H3/t15-,16-,17+/m1/s1