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

Systemtic Name: 2-(5-nitroindazol-2-yl)-5-octadecylsulfanyl-benzene-1,4-diol Openeye Name: 2-(5-nitroindazol-2-yl)-5-octadecylsulfanyl-benzene-1,4-diol CAS Name: 2-(5-nitro-2-indazolyl)-5-(octadecylthio)benzene-1,4-diol IUPAC Name: 2-(5-nitroindazol-2-yl)-5-octadecylsulfanylbenzene-1,4-diol Traditional Name: 2-(5-nitroindazol-2-yl)-5-(stearylthio)hydroquinone Formula: C31H45N3O4S MolecularWeight: 555.7717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCSC1=C(C=C(C(=C1)O)N2C=C3C=C(C=CC3=N2)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCSC1=C(C=C(C(=C1)O)N2C=C3C=C(C=CC3=N2)[N+](=O)[O-])O

InChI

InChI=1S/C31H45N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-39-31-23-29(35)28(22-30(31)36)33-24-25-21-26(34(37)38)18-19-27(25)32-33/h18-19,21-24,35-36H,2-17,20H2,1H3