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

Systemtic Name: 3-[(2-bromanyl-6-methylsulfonyl-4-nitro-phenyl)diazenyl]-2-octadecoxy-naphthalen-1-ol Openeye Name: 3-(2-bromo-6-methylsulfonyl-4-nitro-phenyl)azo-2-octadecoxy-naphthalen-1-ol CAS Name: 3-(2-bromo-6-methylsulfonyl-4-nitrophenyl)azo-2-octadecoxy-1-naphthalenol IUPAC Name: 3-[(2-bromo-6-methylsulfonyl-4-nitrophenyl)diazenyl]-2-octadecoxynaphthalen-1-ol Traditional Name: 3-(2-bromo-6-mesyl-4-nitro-phenyl)azo-2-stearyloxy-1-naphthol Formula: C35H48BrN3O6S MolecularWeight: 718.74112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48BrN3O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-45-35-31(24-27-21-18-19-22-29(27)34(35)40)37-38-33-30(36)25-28(39(41)42)26-32(33)46(2,43)44/h18-19,21-22,24-26,40H,3-17,20,23H2,1-2H3