(2S,3S,5R)-2-hexyl-3-(oxan-2-yloxy)-5-phenylmethoxy-hexadecanoic acid

Systemtic Name: (2S,3S,5R)-2-hexyl-3-(oxan-2-yloxy)-5-phenylmethoxy-hexadecanoic acid Openeye Name: (2S,3S,5R)-5-benzyloxy-2-hexyl-3-tetrahydropyran-2-yloxy-hexadecanoic acid CAS Name: (2S,3S,5R)-2-hexyl-3-(2-oxanyloxy)-5-phenylmethoxyhexadecanoic acid IUPAC Name: (2S,3S,5R)-2-hexyl-3-(oxan-2-yloxy)-5-phenylmethoxyhexadecanoic acid Traditional Name: (2S,3S,5R)-5-benzoxy-2-hexyl-3-tetrahydropyran-2-yloxy-palmitic acid Formula: C34H58O5 MolecularWeight: 546.82132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)OC1CCCCO1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC[C@H](C[C@@H]([C@H](CCCCCC)C(=O)O)OC1CCCCO1)OCC2=CC=CC=C2

InChI

InChI=1S/C34H58O5/c1-3-5-7-9-10-11-12-13-17-23-30(38-28-29-21-15-14-16-22-29)27-32(39-33-25-19-20-26-37-33)31(34(35)36)24-18-8-6-4-2/h14-16,21-22,30-33H,3-13,17-20,23-28H2,1-2H3,(H,35,36)/t30-,31+,32+,33?/m1/s1