[(3R,5S)-2,2-dimethyl-3-oxidanyl-undecan-5-yl] heptanoate

Systemtic Name: [(3R,5S)-2,2-dimethyl-3-oxidanyl-undecan-5-yl] heptanoate Openeye Name: [(1S)-1-[(2R)-2-hydroxy-3,3-dimethyl-butyl]heptyl] heptanoate CAS Name: heptanoic acid [(3R,5S)-3-hydroxy-2,2-dimethylundecan-5-yl] ester IUPAC Name: [(3R,5S)-3-hydroxy-2,2-dimethylundecan-5-yl] heptanoate Traditional Name: enanthic acid [(1S)-1-[(2R)-2-hydroxy-3,3-dimethyl-butyl]heptyl] ester Formula: C20H40O3 MolecularWeight: 328.5298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C(C)(C)C)O)OC(=O)CCCCCC

Isomeric SMILES

CCCCCC[C@@H](C[C@H](C(C)(C)C)O)OC(=O)CCCCCC

InChI

InChI=1S/C20H40O3/c1-6-8-10-12-14-17(16-18(21)20(3,4)5)23-19(22)15-13-11-9-7-2/h17-18,21H,6-16H2,1-5H3/t17-,18+/m0/s1