3-[(4-ethylsulfonyl-2-nitro-phenyl)diazenyl]-2-octadecoxy-naphthalen-1-ol

Systemtic Name: 3-[(4-ethylsulfonyl-2-nitro-phenyl)diazenyl]-2-octadecoxy-naphthalen-1-ol Openeye Name: 3-(4-ethylsulfonyl-2-nitro-phenyl)azo-2-octadecoxy-naphthalen-1-ol CAS Name: 3-(4-ethylsulfonyl-2-nitrophenyl)azo-2-octadecoxy-1-naphthalenol IUPAC Name: 3-[(4-ethylsulfonyl-2-nitrophenyl)diazenyl]-2-octadecoxynaphthalen-1-ol Traditional Name: 3-(4-esyl-2-nitro-phenyl)azo-2-stearyloxy-1-naphthol Formula: C36H51N3O6S MolecularWeight: 653.87164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H51N3O6S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-45-36-33(27-29-22-19-20-23-31(29)35(36)40)38-37-32-25-24-30(46(43,44)4-2)28-34(32)39(41)42/h19-20,22-25,27-28,40H,3-18,21,26H2,1-2H3