2-octadecoxy-3-[(2,4,6-trinitrophenyl)diazenyl]naphthalen-1-ol

Systemtic Name: 2-octadecoxy-3-[(2,4,6-trinitrophenyl)diazenyl]naphthalen-1-ol Openeye Name: 2-octadecoxy-3-(2,4,6-trinitrophenyl)azo-naphthalen-1-ol CAS Name: 2-octadecoxy-3-(2,4,6-trinitrophenyl)azo-1-naphthalenol IUPAC Name: 2-octadecoxy-3-[(2,4,6-trinitrophenyl)diazenyl]naphthalen-1-ol Traditional Name: 3-picrylazo-2-stearyloxy-1-naphthol Formula: C34H45N5O8 MolecularWeight: 651.7498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C2=CC=CC=C2C=C1N=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C2=CC=CC=C2C=C1N=NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C34H45N5O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-47-34-29(23-26-20-17-18-21-28(26)33(34)40)35-36-32-30(38(43)44)24-27(37(41)42)25-31(32)39(45)46/h17-18,20-21,23-25,40H,2-16,19,22H2,1H3