methyl (2S,3R)-2-acetyloxy-3-chloranyl-3-[2-(8-phenyloctyl)phenyl]propanoate

Systemtic Name: methyl (2S,3R)-2-acetyloxy-3-chloranyl-3-[2-(8-phenyloctyl)phenyl]propanoate Openeye Name: methyl (2S,3R)-2-acetoxy-3-chloro-3-[2-(8-phenyloctyl)phenyl]propanoate CAS Name: (2S,3R)-2-acetyloxy-3-chloro-3-[2-(8-phenyloctyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-2-acetyloxy-3-chloro-3-[2-(8-phenyloctyl)phenyl]propanoate Traditional Name: (2S,3R)-2-acetoxy-3-chloro-3-[2-(8-phenyloctyl)phenyl]propionic acid methyl ester Formula: C26H33ClO4 MolecularWeight: 444.99082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)Cl)C(=O)OC

Isomeric SMILES

CC(=O)O[C@H]([C@@H](C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)Cl)C(=O)OC

InChI

InChI=1S/C26H33ClO4/c1-20(28)31-25(26(29)30-2)24(27)23-19-13-12-18-22(23)17-11-6-4-3-5-8-14-21-15-9-7-10-16-21/h7,9-10,12-13,15-16,18-19,24-25H,3-6,8,11,14,17H2,1-2H3/t24-,25-/m1/s1