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

Systemtic Name: 4-[[2-(4-oxidanylidenebutoxy)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[[2-(4-oxobutoxy)-6-(trioxidanylsulfanyl)-1-naphthyl]azo]benzenesulfonic acid CAS Name: 4-[[2-(4-oxobutoxy)-6-(trioxidanylthio)-1-naphthalenyl]azo]benzenesulfonic acid IUPAC Name: 4-[[2-(4-oxobutoxy)-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[[2-(4-ketobutoxy)-6-(trioxidanylthio)-1-naphthyl]azo]besylic acid Formula: C20H18N2O8S2 MolecularWeight: 478.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)SOOO)OCCCC=O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)SOOO)OCCCC=O)S(=O)(=O)O

InChI

InChI=1S/C20H18N2O8S2/c23-11-1-2-12-28-19-10-3-14-13-16(31-30-29-24)6-9-18(14)20(19)22-21-15-4-7-17(8-5-15)32(25,26)27/h3-11,13,24H,1-2,12H2,(H,25,26,27)