(2S,3S,4R)-3-ethynyl-2-methyl-4-phenylmethoxy-pentadecanoic acid

Systemtic Name: (2S,3S,4R)-3-ethynyl-2-methyl-4-phenylmethoxy-pentadecanoic acid Openeye Name: (2S,3S,4R)-4-benzyloxy-3-ethynyl-2-methyl-pentadecanoic acid CAS Name: (2S,3S,4R)-3-ethynyl-2-methyl-4-phenylmethoxypentadecanoic acid IUPAC Name: (2S,3S,4R)-3-ethynyl-2-methyl-4-phenylmethoxypentadecanoic acid Traditional Name: (2S,3S)-3-[(1R)-1-benzoxydodecyl]-2-methyl-pent-4-ynoic acid Formula: C25H38O3 MolecularWeight: 386.56742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C#C)C(C)C(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC[C@H]([C@H](C#C)[C@H](C)C(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C25H38O3/c1-4-6-7-8-9-10-11-12-16-19-24(23(5-2)21(3)25(26)27)28-20-22-17-14-13-15-18-22/h2,13-15,17-18,21,23-24H,4,6-12,16,19-20H2,1,3H3,(H,26,27)/t21-,23+,24+/m0/s1