methyl sulfate; methyl-tris[(Z)-3-oxidanylideneicos-11-enyl]azanium

Systemtic Name: methyl sulfate; methyl-tris[(Z)-3-oxidanylideneicos-11-enyl]azanium Openeye Name: methyl sulfate; methyl-tris[(Z)-3-oxoicos-11-enyl]ammonium CAS Name: methyl sulfate; methyl-tris[(Z)-3-oxoeicos-11-enyl]ammonium IUPAC Name: methyl sulfate; methyl-tris[(Z)-3-oxoicos-11-enyl]azanium Traditional Name: methyl sulfate; tris[(Z)-3-ketoeicos-11-enyl]-methyl-ammonium Formula: C62H117NO7S MolecularWeight: 1020.65988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)CC[N+](C)(CCC(=O)CCCCCCCC=CCCCCCCCC)CCC(=O)CCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)CC[N+](CCC(=O)CCCCCCC/C=C\CCCCCCCC)(CCC(=O)CCCCCCC/C=C\CCCCCCCC)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C61H114NO3.CH4O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)53-56-62(4,57-54-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5-6(2,3)4/h26-31H,5-25,32-58H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b29-26-,30-27-,31-28-;