O7,O7-ditert-butyl O1-ethyl (11S)-11-acetyloxyhexadecane-1,7,7-tricarboxylate

Systemtic Name: O7,O7-ditert-butyl O1-ethyl (11S)-11-acetyloxyhexadecane-1,7,7-tricarboxylate Openeye Name: O7,O7-ditert-butyl O1-ethyl (11S)-11-acetoxyhexadecane-1,7,7-tricarboxylate CAS Name: (11S)-11-acetyloxyhexadecane-1,7,7-tricarboxylic acid O7,O7-ditert-butyl ester O1-ethyl ester IUPAC Name: 7-O,7-O-ditert-butyl 1-O-ethyl (11S)-11-acetyloxyhexadecane-1,7,7-tricarboxylate Traditional Name: (11S)-11-acetoxyhexadecane-1,7,7-tricarboxylic acid O7,O7-ditert-butyl ester O1-ethyl ester Formula: C31H56O8 MolecularWeight: 556.77154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)OCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC(=O)C

Isomeric SMILES

CCCCC[C@@H](CCCC(CCCCCCC(=O)OCC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC(=O)C

InChI

InChI=1S/C31H56O8/c1-10-12-15-19-25(37-24(3)32)20-18-23-31(27(34)38-29(4,5)6,28(35)39-30(7,8)9)22-17-14-13-16-21-26(33)36-11-2/h25H,10-23H2,1-9H3/t25-/m0/s1