[(E)-3-methyl-4-oxidanyl-but-2-enyl]sulfanyl-phosphonatooxy-phosphinate; tetrabutylazanium

Systemtic Name: [(E)-3-methyl-4-oxidanyl-but-2-enyl]sulfanyl-phosphonatooxy-phosphinate; tetrabutylazanium Openeye Name: [(E)-4-hydroxy-3-methyl-but-2-enyl]sulfanyl-phosphonatooxy-phosphinate; tetrabutylammonium CAS Name: [[(E)-4-hydroxy-3-methylbut-2-enyl]thio]-phosphonatooxyphosphinate; tetrabutylammonium IUPAC Name: [(E)-4-hydroxy-3-methylbut-2-enyl]sulfanyl-phosphonatooxyphosphinate; tetrabutylazanium Traditional Name: [[(E)-4-hydroxy-3-methyl-but-2-enyl]thio]-phosphato-phosphinate; tetrabutylammonium Formula: C53H117N3O7P2S MolecularWeight: 1002.524502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CC(=CCSP(=O)([O-])OP(=O)([O-])[O-])CO

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C/C(=C\CSP(=O)([O-])OP(=O)([O-])[O-])/CO

InChI

InChI=1S/3C16H36N.C5H12O7P2S/c3*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(4-6)2-3-15-14(10,11)12-13(7,8)9/h3*5-16H2,1-4H3;2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)/q3*+1;/p-3/b;;;5-2+