methyl (2R,3S,4S)-3-acetyloxy-2-(3-oxidanylideneprop-1-en-2-yl)-4-phenylmethoxy-octanoate

Systemtic Name: methyl (2R,3S,4S)-3-acetyloxy-2-(3-oxidanylideneprop-1-en-2-yl)-4-phenylmethoxy-octanoate Openeye Name: methyl (2R,3S,4S)-3-acetoxy-4-benzyloxy-2-(1-formylvinyl)octanoate CAS Name: (2R,3S,4S)-3-acetyloxy-2-(3-oxoprop-1-en-2-yl)-4-phenylmethoxyoctanoic acid methyl ester IUPAC Name: methyl (2R,3S,4S)-3-acetyloxy-2-(3-oxoprop-1-en-2-yl)-4-phenylmethoxyoctanoate Traditional Name: (2R)-2-[(1S,2S)-1-acetoxy-2-benzoxy-hexyl]-3-formyl-but-3-enoic acid methyl ester Formula: C21H28O6 MolecularWeight: 376.44342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C(C(=C)C=O)C(=O)OC)OC(=O)C)OCC1=CC=CC=C1

Isomeric SMILES

CCCC[C@@H]([C@H]([C@@H](C(=C)C=O)C(=O)OC)OC(=O)C)OCC1=CC=CC=C1

InChI

InChI=1S/C21H28O6/c1-5-6-12-18(26-14-17-10-8-7-9-11-17)20(27-16(3)23)19(15(2)13-22)21(24)25-4/h7-11,13,18-20H,2,5-6,12,14H2,1,3-4H3/t18-,19+,20+/m0/s1