[(1R,2S)-2-phenylcyclohexyl] (2S,3S,4R)-4-methyl-5-oxidanylidene-2-tridecyl-oxolane-3-carboxylate

Systemtic Name: [(1R,2S)-2-phenylcyclohexyl] (2S,3S,4R)-4-methyl-5-oxidanylidene-2-tridecyl-oxolane-3-carboxylate Openeye Name: [(1R,2S)-2-phenylcyclohexyl] (2S,3S,4R)-4-methyl-5-oxo-2-tridecyl-tetrahydrofuran-3-carboxylate CAS Name: (2S,3S,4R)-4-methyl-5-oxo-2-tridecyl-3-oxolanecarboxylic acid [(1R,2S)-2-phenylcyclohexyl] ester IUPAC Name: [(1R,2S)-2-phenylcyclohexyl] (2S,3S,4R)-4-methyl-5-oxo-2-tridecyloxolane-3-carboxylate Traditional Name: (2S,3S,4R)-5-keto-4-methyl-2-tridecyl-tetrahydrofuran-3-carboxylic acid [(1R,2S)-2-phenylcyclohexyl] ester Formula: C31H48O4 MolecularWeight: 484.71042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(C(C(=O)O1)C)C(=O)OC2CCCCC2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC[C@H]1[C@H]([C@H](C(=O)O1)C)C(=O)O[C@@H]2CCCC[C@H]2C3=CC=CC=C3

InChI

InChI=1S/C31H48O4/c1-3-4-5-6-7-8-9-10-11-12-16-23-28-29(24(2)30(32)35-28)31(33)34-27-22-18-17-21-26(27)25-19-14-13-15-20-25/h13-15,19-20,24,26-29H,3-12,16-18,21-23H2,1-2H3/t24-,26+,27-,28+,29+/m1/s1