(phenylmethyl) (2S,3R)-7-(2,2-dimethylpropanoyloxy)-3-oxidanyl-2-prop-2-enyl-heptanoate

Systemtic Name: (phenylmethyl) (2S,3R)-7-(2,2-dimethylpropanoyloxy)-3-oxidanyl-2-prop-2-enyl-heptanoate Openeye Name: benzyl (2S,3R)-2-allyl-7-(2,2-dimethylpropanoyloxy)-3-hydroxy-heptanoate CAS Name: (2S,3R)-7-(2,2-dimethyl-1-oxopropoxy)-3-hydroxy-2-prop-2-enylheptanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-7-(2,2-dimethylpropanoyloxy)-3-hydroxy-2-prop-2-enylheptanoate Traditional Name: (2S)-2-[(1R)-1-hydroxy-5-pivaloyloxy-pentyl]pent-4-enoic acid benzyl ester Formula: C22H32O5 MolecularWeight: 376.48648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCCCC(C(CC=C)C(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

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

InChI

InChI=1S/C22H32O5/c1-5-11-18(20(24)27-16-17-12-7-6-8-13-17)19(23)14-9-10-15-26-21(25)22(2,3)4/h5-8,12-13,18-19,23H,1,9-11,14-16H2,2-4H3/t18-,19+/m0/s1