[5-(2,2-dimethylpropanoyloxy)-4-oxidanylidene-pyran-2-yl]methyl (E)-hexadec-9-enoate

Systemtic Name: [5-(2,2-dimethylpropanoyloxy)-4-oxidanylidene-pyran-2-yl]methyl (E)-hexadec-9-enoate Openeye Name: [5-(2,2-dimethylpropanoyloxy)-4-oxo-pyran-2-yl]methyl (E)-hexadec-9-enoate CAS Name: (E)-9-hexadecenoic acid [5-(2,2-dimethyl-1-oxopropoxy)-4-oxo-2-pyranyl]methyl ester IUPAC Name: [5-(2,2-dimethylpropanoyloxy)-4-oxopyran-2-yl]methyl (E)-hexadec-9-enoate Traditional Name: (E)-hexadec-9-enoic acid (4-keto-5-pivaloyloxy-pyran-2-yl)methyl ester Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)OCC1=CC(=O)C(=CO1)OC(=O)C(C)(C)C

Isomeric SMILES

CCCCCC/C=C/CCCCCCCC(=O)OCC1=CC(=O)C(=CO1)OC(=O)C(C)(C)C

InChI

InChI=1S/C27H42O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)32-20-22-19-23(28)24(21-31-22)33-26(30)27(2,3)4/h10-11,19,21H,5-9,12-18,20H2,1-4H3/b11-10+