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

Systemtic Name: sodium 4-[(4-tetradecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Openeye Name: sodium 4-[(4-tetradecanoyloxy-1-naphthyl)azo]benzenesulfonate CAS Name: sodium 4-[[4-(1-oxotetradecoxy)-1-naphthalenyl]azo]benzenesulfonate IUPAC Name: sodium 4-[(4-tetradecanoyloxynaphthalen-1-yl)diazenyl]benzenesulfonate Traditional Name: sodium 4-[(4-tetradecanoyloxy-1-naphthyl)azo]besylate Formula: C30H37N2NaO5S MolecularWeight: 560.67995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-30(33)37-29-23-22-28(26-15-13-14-16-27(26)29)32-31-24-18-20-25(21-19-24)38(34,35)36;/h13-16,18-23H,2-12,17H2,1H3,(H,34,35,36);/q;+1/p-1