1-[[(4S,5R,6S)-4,6-dimethylhexadec-2-yn-5-yl]oxymethyl]-4-methoxy-benzene

Systemtic Name: 1-[[(4S,5R,6S)-4,6-dimethylhexadec-2-yn-5-yl]oxymethyl]-4-methoxy-benzene Openeye Name: 1-methoxy-4-[[(1R,2S)-2-methyl-1-[(1S)-1-methylbut-2-ynyl]dodecoxy]methyl]benzene CAS Name: 1-[[(4S,5R,6S)-4,6-dimethylhexadec-2-yn-5-yl]oxymethyl]-4-methoxybenzene IUPAC Name: 1-[[(4S,5R,6S)-4,6-dimethylhexadec-2-yn-5-yl]oxymethyl]-4-methoxybenzene Traditional Name: 1-methoxy-4-[[(1R,2S)-2-methyl-1-[(1S)-1-methylundecyl]pent-3-ynoxy]methyl]benzene Formula: C26H42O2 MolecularWeight: 386.61048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)C(C(C)C#CC)OCC1=CC=C(C=C1)OC

Isomeric SMILES

CCCCCCCCCC[C@H](C)[C@H]([C@@H](C)C#CC)OCC1=CC=C(C=C1)OC

InChI

InChI=1S/C26H42O2/c1-6-8-9-10-11-12-13-14-16-23(4)26(22(3)15-7-2)28-21-24-17-19-25(27-5)20-18-24/h17-20,22-23,26H,6,8-14,16,21H2,1-5H3/t22-,23-,26-/m0/s1