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

Systemtic Name: 3-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]-2-octadecoxy-naphthalen-1-ol Openeye Name: 3-(2-methylsulfonyl-4-nitro-phenyl)azo-2-octadecoxy-naphthalen-1-ol CAS Name: 3-(2-methylsulfonyl-4-nitrophenyl)azo-2-octadecoxy-1-naphthalenol IUPAC Name: 3-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]-2-octadecoxynaphthalen-1-ol Traditional Name: 3-(2-mesyl-4-nitro-phenyl)azo-2-stearyloxy-1-naphthol Formula: C35H49N3O6S MolecularWeight: 639.84506

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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-])S(=O)(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C35H49N3O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-44-35-32(26-28-21-18-19-22-30(28)34(35)39)37-36-31-24-23-29(38(40)41)27-33(31)45(2,42)43/h18-19,21-24,26-27,39H,3-17,20,25H2,1-2H3