[(4S,5S,6R)-4,6-dimethyl-5-oxidanyl-9-phenylmethoxy-non-2-ynyl] 2,2-dimethylpropanoate

Systemtic Name: [(4S,5S,6R)-4,6-dimethyl-5-oxidanyl-9-phenylmethoxy-non-2-ynyl] 2,2-dimethylpropanoate Openeye Name: [(4S,5S,6R)-9-benzyloxy-5-hydroxy-4,6-dimethyl-non-2-ynyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(4S,5S,6R)-5-hydroxy-4,6-dimethyl-9-phenylmethoxynon-2-ynyl] ester IUPAC Name: [(4S,5S,6R)-5-hydroxy-4,6-dimethyl-9-phenylmethoxynon-2-ynyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(4S,5S,6R)-9-benzoxy-5-hydroxy-4,6-dimethyl-non-2-ynyl] ester Formula: C23H34O4 MolecularWeight: 374.51366

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOCC1=CC=CC=C1)C(C(C)C#CCOC(=O)C(C)(C)C)O

Isomeric SMILES

C[C@H](CCCOCC1=CC=CC=C1)[C@@H]([C@@H](C)C#CCOC(=O)C(C)(C)C)O

InChI

InChI=1S/C23H34O4/c1-18(11-9-15-26-17-20-13-7-6-8-14-20)21(24)19(2)12-10-16-27-22(25)23(3,4)5/h6-8,13-14,18-19,21,24H,9,11,15-17H2,1-5H3/t18-,19+,21+/m1/s1