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

Systemtic Name: 4-[[2-(4-oxidanylidenepentoxy)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[[2-(4-oxopentoxy)-6-(trioxidanylsulfanyl)-1-naphthyl]azo]benzenesulfonic acid CAS Name: 4-[[2-(4-oxopentoxy)-6-(trioxidanylthio)-1-naphthalenyl]azo]benzenesulfonic acid IUPAC Name: 4-[[2-(4-oxopentoxy)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[[2-(4-ketopentoxy)-6-(trioxidanylthio)-1-naphthyl]azo]besylic acid Formula: C21H20N2O8S2 MolecularWeight: 492.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCOC1=C(C2=C(C=C1)C=C(C=C2)SOOO)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC(=O)CCCOC1=C(C2=C(C=C1)C=C(C=C2)SOOO)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C21H20N2O8S2/c1-14(24)3-2-12-29-20-11-4-15-13-17(32-31-30-25)7-10-19(15)21(20)23-22-16-5-8-18(9-6-16)33(26,27)28/h4-11,13,25H,2-3,12H2,1H3,(H,26,27,28)