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

Systemtic Name: [(4S,5S,6R)-4,6-dimethyl-5-oxidanyl-7-phenylmethoxy-hept-2-ynyl] 2,2-dimethylpropanoate Openeye Name: [(4S,5S,6R)-7-benzyloxy-5-hydroxy-4,6-dimethyl-hept-2-ynyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(4S,5S,6R)-5-hydroxy-4,6-dimethyl-7-phenylmethoxyhept-2-ynyl] ester IUPAC Name: [(4S,5S,6R)-5-hydroxy-4,6-dimethyl-7-phenylmethoxyhept-2-ynyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(4S,5S,6R)-7-benzoxy-5-hydroxy-4,6-dimethyl-hept-2-ynyl] ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O4/c1-16(10-9-13-25-20(23)21(3,4)5)19(22)17(2)14-24-15-18-11-7-6-8-12-18/h6-8,11-12,16-17,19,22H,13-15H2,1-5H3/t16-,17+,19-/m0/s1