2-dodecylsulfanyl-5-(5-nitroindazol-2-yl)benzene-1,4-diol

Systemtic Name: 2-dodecylsulfanyl-5-(5-nitroindazol-2-yl)benzene-1,4-diol Openeye Name: 2-dodecylsulfanyl-5-(5-nitroindazol-2-yl)benzene-1,4-diol CAS Name: 2-(dodecylthio)-5-(5-nitro-2-indazolyl)benzene-1,4-diol IUPAC Name: 2-dodecylsulfanyl-5-(5-nitroindazol-2-yl)benzene-1,4-diol Traditional Name: 2-(laurylthio)-5-(5-nitroindazol-2-yl)hydroquinone Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=C(C=C(C(=C1)O)N2C=C3C=C(C=CC3=N2)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCSC1=C(C=C(C(=C1)O)N2C=C3C=C(C=CC3=N2)[N+](=O)[O-])O

InChI

InChI=1S/C25H33N3O4S/c1-2-3-4-5-6-7-8-9-10-11-14-33-25-17-23(29)22(16-24(25)30)27-18-19-15-20(28(31)32)12-13-21(19)26-27/h12-13,15-18,29-30H,2-11,14H2,1H3