tert-butyl (2S)-2-[(1S)-7-methyl-1-phenylmethoxy-oct-6-enyl]docosanoate

Systemtic Name: tert-butyl (2S)-2-[(1S)-7-methyl-1-phenylmethoxy-oct-6-enyl]docosanoate Openeye Name: tert-butyl (2S)-2-[(1S)-1-benzyloxy-7-methyl-oct-6-enyl]docosanoate CAS Name: (2S)-2-[(1S)-7-methyl-1-phenylmethoxyoct-6-enyl]docosanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1S)-7-methyl-1-phenylmethoxyoct-6-enyl]docosanoate Traditional Name: (2S,3S)-2-arachyl-3-benzoxy-9-methyl-dec-8-enoic acid tert-butyl ester Formula: C42H74O3 MolecularWeight: 627.03516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(CCCCC=C(C)C)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[C@@H]([C@H](CCCCC=C(C)C)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C42H74O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-34-39(41(43)45-42(4,5)6)40(35-30-24-26-31-37(2)3)44-36-38-32-27-25-28-33-38/h25,27-28,31-33,39-40H,7-24,26,29-30,34-36H2,1-6H3/t39-,40-/m0/s1