(2S,3S)-2-hexyl-3-phenylmethoxy-decanoic acid

Systemtic Name: (2S,3S)-2-hexyl-3-phenylmethoxy-decanoic acid Openeye Name: (2S,3S)-3-benzyloxy-2-hexyl-decanoic acid CAS Name: (2S,3S)-2-hexyl-3-phenylmethoxydecanoic acid IUPAC Name: (2S,3S)-2-hexyl-3-phenylmethoxydecanoic acid Traditional Name: (2S,3S)-3-benzoxy-2-hexyl-capric acid Formula: C23H38O3 MolecularWeight: 362.54602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCCCC)C(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC[C@@H]([C@H](CCCCCC)C(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H38O3/c1-3-5-7-9-14-18-22(26-19-20-15-11-10-12-16-20)21(23(24)25)17-13-8-6-4-2/h10-12,15-16,21-22H,3-9,13-14,17-19H2,1-2H3,(H,24,25)/t21-,22-/m0/s1