4-[[2-(3-methoxypropoxy)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-[[2-(3-methoxypropoxy)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[[2-(3-methoxypropoxy)-6-(trioxidanylsulfanyl)-1-naphthyl]azo]benzenesulfonic acid CAS Name: 4-[[2-(3-methoxypropoxy)-6-(trioxidanylthio)-1-naphthalenyl]azo]benzenesulfonic acid IUPAC Name: 4-[[2-(3-methoxypropoxy)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[[2-(3-methoxypropoxy)-6-(trioxidanylthio)-1-naphthyl]azo]besylic acid Formula: C20H20N2O8S2 MolecularWeight: 480.5114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCOC1=C(C2=C(C=C1)C=C(C=C2)SOOO)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

COCCCOC1=C(C2=C(C=C1)C=C(C=C2)SOOO)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C20H20N2O8S2/c1-27-11-2-12-28-19-10-3-14-13-16(31-30-29-23)6-9-18(14)20(19)22-21-15-4-7-17(8-5-15)32(24,25)26/h3-10,13,23H,2,11-12H2,1H3,(H,24,25,26)