hexadecyl-[(E)-octadec-9-enoyl]azanium sulfate

Systemtic Name: hexadecyl-[(E)-octadec-9-enoyl]azanium sulfate Openeye Name: hexadecyl-[(E)-octadec-9-enoyl]ammonium sulfate CAS Name: hexadecyl-[(E)-1-oxooctadec-9-enyl]ammonium sulfate IUPAC Name: hexadecyl-[(E)-octadec-9-enoyl]azanium sulfate Traditional Name: cetyl-[(E)-octadec-9-enoyl]ammonium sulfate Formula: C34H68NO5S- MolecularWeight: 602.97242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]C(=O)CCCCCCCC=CCCCCCCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]C(=O)CCCCCCC/C=C/CCCCCCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C34H67NO.H2O4S/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(36)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;1-5(2,3)4/h17,19H,3-16,18,20-33H2,1-2H3,(H,35,36);(H2,1,2,3,4)/p-1/b19-17+;