(1-acetyloxy-3-hexadecanoyloxy-propan-2-yl) (1S,2S)-2-phenylcyclopropane-1-carboxylate

Systemtic Name: (1-acetyloxy-3-hexadecanoyloxy-propan-2-yl) (1S,2S)-2-phenylcyclopropane-1-carboxylate Openeye Name: [1-(acetoxymethyl)-2-hexadecanoyloxy-ethyl] (1S,2S)-2-phenylcyclopropanecarboxylate CAS Name: (1S,2S)-2-phenyl-1-cyclopropanecarboxylic acid [1-acetyloxy-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: (1-acetyloxy-3-hexadecanoyloxypropan-2-yl) (1S,2S)-2-phenylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-phenylcyclopropanecarboxylic acid [1-(acetoxymethyl)-2-hexadecanoyloxy-ethyl] ester Formula: C31H48O6 MolecularWeight: 516.70922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C1CC1C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2

InChI

InChI=1S/C31H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-30(33)36-24-27(23-35-25(2)32)37-31(34)29-22-28(29)26-19-16-15-17-20-26/h15-17,19-20,27-29H,3-14,18,21-24H2,1-2H3/t27?,28-,29+/m1/s1