[(4S,5S,6R)-5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxy-hept-2-ynyl] ethanoate

Systemtic Name: [(4S,5S,6R)-5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxy-hept-2-ynyl] ethanoate Openeye Name: [(4S,5S,6R)-7-benzyloxy-5-(methoxymethoxy)-4,6-dimethyl-hept-2-ynyl] acetate CAS Name: acetic acid [(4S,5S,6R)-5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxyhept-2-ynyl] ester IUPAC Name: [(4S,5S,6R)-5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxyhept-2-ynyl] acetate Traditional Name: acetic acid [(4S,5S,6R)-7-benzoxy-5-(methoxymethoxy)-4,6-dimethyl-hept-2-ynyl] ester Formula: C20H28O5 MolecularWeight: 348.43332

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C(C(C)C#CCOC(=O)C)OCOC

Isomeric SMILES

C[C@H](COCC1=CC=CC=C1)[C@H]([C@@H](C)C#CCOC(=O)C)OCOC

InChI

InChI=1S/C20H28O5/c1-16(9-8-12-24-18(3)21)20(25-15-22-4)17(2)13-23-14-19-10-6-5-7-11-19/h5-7,10-11,16-17,20H,12-15H2,1-4H3/t16-,17+,20-/m0/s1