1-deuteriohexadecyl (1R,4S)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate

Systemtic Name: 1-deuteriohexadecyl (1R,4S)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Openeye Name: 1-deuteriohexadecyl (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate CAS Name: (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 1-deuteriohexadecyl ester IUPAC Name: 1-deuteriohexadecyl (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Traditional Name: (1R,4S)-2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 1-deuteriohexadecyl ester Formula: C26H46O4 MolecularWeight: 423.647202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C12CCC(C1(C)C)(C(=O)O2)C

Isomeric SMILES

[2H]C(CCCCCCCCCCCCCCC)OC(=O)[C@]12CC[C@](C1(C)C)(C(=O)O2)C

InChI

InChI=1S/C26H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-23(28)26-20-19-25(4,22(27)30-26)24(26,2)3/h5-21H2,1-4H3/t25-,26+/m0/s1/i21D/t21?,25-,26+