lithium 1-[[(E,3S,4S)-3,5-dimethylhept-5-en-1-yn-4-yl]oxymethyl]-4-methoxy-benzene

Systemtic Name: lithium 1-[[(E,3S,4S)-3,5-dimethylhept-5-en-1-yn-4-yl]oxymethyl]-4-methoxy-benzene Openeye Name: lithium 1-methoxy-4-[[(E,1S)-2-methyl-1-[(1S)-1-methylprop-2-ynyl]but-2-enoxy]methyl]benzene CAS Name: lithium 1-[[(E,3S,4S)-3,5-dimethylhept-5-en-1-yn-4-yl]oxymethyl]-4-methoxybenzene IUPAC Name: lithium 1-[[(E,3S,4S)-3,5-dimethylhept-5-en-1-yn-4-yl]oxymethyl]-4-methoxybenzene Traditional Name: lithium 1-methoxy-4-[[(E,1S)-2-methyl-1-[(1S)-1-methylprop-2-ynyl]but-2-enoxy]methyl]benzene Formula: C17H21LiO2 MolecularWeight: 264.28844

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC=C(C)C(C(C)C#[C-])OCC1=CC=C(C=C1)OC

Isomeric SMILES

[Li+].C/C=C(\C)/[C@H]([C@@H](C)C#[C-])OCC1=CC=C(C=C1)OC

InChI

InChI=1S/C17H21O2.Li/c1-6-13(3)17(14(4)7-2)19-12-15-8-10-16(18-5)11-9-15;/h6,8-11,14,17H,12H2,1,3-5H3;/q-1;+1/b13-6+;/t14-,17+;/m0./s1