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4-butylheptane-1,7-diol; hexadecyl(oxidanyl)azanium; sulfate

4-butylheptane-1,7-diol; hexadecyl(oxidanyl)azanium; sulfate

Systemtic Name:4-butylheptane-1,7-diol; hexadecyl(oxidanyl)azanium; sulfate
Openeye Name:4-butylheptane-1,7-diol; hexadecyl(hydroxy)ammonium; sulfate
CAS Name:4-butylheptane-1,7-diol; hexadecyl(hydroxy)ammonium; sulfate
IUPAC Name:4-butylheptane-1,7-diol; hexadecyl(hydroxy)azanium; sulfate
Traditional Name:4-butylheptane-1,7-diol; cetyl(hydroxy)ammonium; sulfate
Formula: C27H60NO7S-
MolecularWeight: 542.8328
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]O.CCCCC(CCCO)CCCO.[O-]S(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]O.CCCCC(CCCO)CCCO.[O-]S(=O)(=O)[O-]


InChI

InChI=1S/C16H35NO.C11H24O2.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-2-3-6-11(7-4-9-12)8-5-10-13;1-5(2,3)4/h17-18H,2-16H2,1H3;11-13H,2-10H2,1H3;(H2,1,2,3,4)/p-1


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