lithium butyl-bis(2-methylpropyl)-[(Z)-3-(oxan-2-yloxy)-1-phenylsulfanyl-prop-1-enyl]alumanuide

Systemtic Name: lithium butyl-bis(2-methylpropyl)-[(Z)-3-(oxan-2-yloxy)-1-phenylsulfanyl-prop-1-enyl]alumanuide Openeye Name: lithium butyl-diisobutyl-[(Z)-1-phenylsulfanyl-3-tetrahydropyran-2-yloxy-prop-1-enyl]alumanuide CAS Name: lithium butyl-bis(2-methylpropyl)-[(Z)-3-(2-oxanyloxy)-1-(phenylthio)prop-1-enyl]alumanuide IUPAC Name: lithium butyl-bis(2-methylpropyl)-[(Z)-3-(oxan-2-yloxy)-1-phenylsulfanylprop-1-enyl]alumanuide Traditional Name: lithium butyl-diisobutyl-[(Z)-1-(phenylthio)-3-tetrahydropyran-2-yloxy-prop-1-enyl]alumanuide Formula: C26H44AlLiO2S MolecularWeight: 454.613898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].CCCC[Al-](CC(C)C)(CC(C)C)C(=CCOC1CCCCO1)SC2=CC=CC=C2

Isomeric SMILES

[Li+].CCCC[Al-](CC(C)C)(CC(C)C)/C(=C/COC1CCCCO1)/SC2=CC=CC=C2

InChI

InChI=1S/C14H17O2S.3C4H9.Al.Li/c1-2-7-13(8-3-1)17-12-6-11-16-14-9-4-5-10-15-14;2*1-4(2)3;1-3-4-2;;/h1-3,6-8,14H,4-5,9-11H2;2*4H,1H2,2-3H3;1,3-4H2,2H3;;/q;;;;-1;+1