1-hexadecylsulfanyl-2,4-dinitro-benzene

Systemtic Name: 1-hexadecylsulfanyl-2,4-dinitro-benzene Openeye Name: 1-hexadecylsulfanyl-2,4-dinitro-benzene CAS Name: 1-(hexadecylthio)-2,4-dinitrobenzene IUPAC Name: 1-hexadecylsulfanyl-2,4-dinitrobenzene Traditional Name: 1-(cetylthio)-2,4-dinitro-benzene Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H36N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-22-17-16-20(23(25)26)19-21(22)24(27)28/h16-17,19H,2-15,18H2,1H3