(3S)-3-[(2R,3R)-7-(1-ethoxyethoxy)-3,7-dimethyl-oct-5-yn-2-yl]-3-methyl-cyclohexan-1-one

Systemtic Name: (3S)-3-[(2R,3R)-7-(1-ethoxyethoxy)-3,7-dimethyl-oct-5-yn-2-yl]-3-methyl-cyclohexan-1-one Openeye Name: (3S)-3-[(1R,2R)-6-(1-ethoxyethoxy)-1,2,6-trimethyl-hept-4-ynyl]-3-methyl-cyclohexanone CAS Name: (3S)-3-[(2R,3R)-7-(1-ethoxyethoxy)-3,7-dimethyloct-5-yn-2-yl]-3-methyl-1-cyclohexanone IUPAC Name: (3S)-3-[(2R,3R)-7-(1-ethoxyethoxy)-3,7-dimethyloct-5-yn-2-yl]-3-methylcyclohexan-1-one Traditional Name: (3S)-3-[(1R,2R)-6-(1-ethoxyethoxy)-1,2,6-trimethyl-hept-4-ynyl]-3-methyl-cyclohexanone Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC(C)(C)C#CCC(C)C(C)C1(CCCC(=O)C1)C

Isomeric SMILES

CCOC(C)OC(C)(C)C#CC[C@@H](C)[C@@H](C)[C@]1(CCCC(=O)C1)C

InChI

InChI=1S/C21H36O3/c1-8-23-18(4)24-20(5,6)13-9-11-16(2)17(3)21(7)14-10-12-19(22)15-21/h16-18H,8,10-12,14-15H2,1-7H3/t16-,17-,18?,21+/m1/s1