azanium 1-[(Z)-dodec-2-en-3-yl]peroxyethylbenzene sulfate

Systemtic Name: azanium 1-[(Z)-dodec-2-en-3-yl]peroxyethylbenzene sulfate Openeye Name: ammonium 1-[(1Z)-1-ethylidenedecyl]peroxyethylbenzene sulfate CAS Name: ammonium 1-[(Z)-dodec-2-en-3-yl]dioxyethylbenzene sulfate IUPAC Name: azanium 1-[(Z)-dodec-2-en-3-yl]peroxyethylbenzene sulfate Traditional Name: ammonium 1-[(Z)-1-nonylprop-1-enyl]peroxyethylbenzene sulfate Formula: C20H36NO6S- MolecularWeight: 418.56794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=CC)OOC(C)C1=CC=CC=C1.[NH4+].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC/C(=C/C)/OOC(C)C1=CC=CC=C1.[NH4+].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H32O2.H3N.H2O4S/c1-4-6-7-8-9-10-14-17-20(5-2)22-21-18(3)19-15-12-11-13-16-19;;1-5(2,3)4/h5,11-13,15-16,18H,4,6-10,14,17H2,1-3H3;1H3;(H2,1,2,3,4)/p-1/b20-5-;;