[(2R,4S,5S,7R)-4-hexyl-5-oxidanyl-3-oxidanylidene-7-phenylmethoxy-octadecan-2-yl] benzoate

Systemtic Name: [(2R,4S,5S,7R)-4-hexyl-5-oxidanyl-3-oxidanylidene-7-phenylmethoxy-octadecan-2-yl] benzoate Openeye Name: [(1R,3S,4S,6R)-6-benzyloxy-3-hexyl-4-hydroxy-1-methyl-2-oxo-heptadecyl] benzoate CAS Name: benzoic acid [(2R,4S,5S,7R)-4-hexyl-5-hydroxy-3-oxo-7-phenylmethoxyoctadecan-2-yl] ester IUPAC Name: [(2R,4S,5S,7R)-4-hexyl-5-hydroxy-3-oxo-7-phenylmethoxyoctadecan-2-yl] benzoate Traditional Name: benzoic acid [(1R,3S,4S,6R)-6-benzoxy-3-hexyl-4-hydroxy-2-keto-1-methyl-heptadecyl] ester Formula: C38H58O5 MolecularWeight: 594.86412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)C(C)OC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC[C@H](C[C@@H]([C@H](CCCCCC)C(=O)[C@@H](C)OC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2

InChI

InChI=1S/C38H58O5/c1-4-6-8-10-11-12-13-14-21-27-34(42-30-32-23-17-15-18-24-32)29-36(39)35(28-22-9-7-5-2)37(40)31(3)43-38(41)33-25-19-16-20-26-33/h15-20,23-26,31,34-36,39H,4-14,21-22,27-30H2,1-3H3/t31-,34-,35+,36+/m1/s1