3-[[2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl]diazenyl]-2-octadecoxy-naphthalen-1-ol

Systemtic Name: 3-[[2-bromanyl-6-nitro-4-(trifluoromethyl)phenyl]diazenyl]-2-octadecoxy-naphthalen-1-ol Openeye Name: 3-[2-bromo-6-nitro-4-(trifluoromethyl)phenyl]azo-2-octadecoxy-naphthalen-1-ol CAS Name: 3-[2-bromo-6-nitro-4-(trifluoromethyl)phenyl]azo-2-octadecoxy-1-naphthalenol IUPAC Name: 3-[[2-bromo-6-nitro-4-(trifluoromethyl)phenyl]diazenyl]-2-octadecoxynaphthalen-1-ol Traditional Name: 3-[2-bromo-6-nitro-4-(trifluoromethyl)phenyl]azo-2-stearyloxy-1-naphthol Formula: C35H45BrF3N3O4 MolecularWeight: 708.64871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C2=CC=CC=C2C=C1N=NC3=C(C=C(C=C3Br)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C2=CC=CC=C2C=C1N=NC3=C(C=C(C=C3Br)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C35H45BrF3N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-46-34-30(23-26-20-17-18-21-28(26)33(34)43)40-41-32-29(36)24-27(35(37,38)39)25-31(32)42(44)45/h17-18,20-21,23-25,43H,2-16,19,22H2,1H3