sodium 4-[(4-octadecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[(4-octadecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: sodium 4-[(4-octadecanoyloxy-1-naphthyl)azo]benzenesulfonate CAS Name: sodium 4-[[4-(1-oxooctadecoxy)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 4-[(4-octadecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: sodium 4-[(4-stearoyloxy-1-naphthyl)azo]besylate Formula: C34H45N2NaO5S MolecularWeight: 616.78627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C34H46N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-34(37)41-33-27-26-32(30-19-17-18-20-31(30)33)36-35-28-22-24-29(25-23-28)42(38,39)40;/h17-20,22-27H,2-16,21H2,1H3,(H,38,39,40);/q;+1/p-1