[(E,4S,5R,7R)-5-ethynyl-9-methyl-7-oxidanyl-dec-2-en-4-yl] 2,2-dimethylpropanoate

Systemtic Name: [(E,4S,5R,7R)-5-ethynyl-9-methyl-7-oxidanyl-dec-2-en-4-yl] 2,2-dimethylpropanoate Openeye Name: [(1S,2R,4R)-2-ethynyl-4-hydroxy-6-methyl-1-[(E)-prop-1-enyl]heptyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(E,4S,5R,7R)-5-ethynyl-7-hydroxy-9-methyldec-2-en-4-yl] ester IUPAC Name: [(E,4S,5R,7R)-5-ethynyl-7-hydroxy-9-methyldec-2-en-4-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(E,1S)-1-[(1R)-1-[(2R)-2-hydroxy-4-methyl-pentyl]prop-2-ynyl]but-2-enyl] ester Formula: C18H30O3 MolecularWeight: 294.429

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C(CC(CC(C)C)O)C#C)OC(=O)C(C)(C)C

Isomeric SMILES

C/C=C/[C@@H]([C@H](C[C@@H](CC(C)C)O)C#C)OC(=O)C(C)(C)C

InChI

InChI=1S/C18H30O3/c1-8-10-16(21-17(20)18(5,6)7)14(9-2)12-15(19)11-13(3)4/h2,8,10,13-16,19H,11-12H2,1,3-7H3/b10-8+/t14-,15+,16-/m0/s1