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

Systemtic Name: 4-[[2-butoxy-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-[[2-butoxy-6-(trioxidanylsulfanyl)-1-naphthyl]azo]benzenesulfonic acid CAS Name: 4-[[2-butoxy-6-(trioxidanylthio)-1-naphthalenyl]azo]benzenesulfonic acid IUPAC Name: 4-[[2-butoxy-6-(trioxidanylsulfanyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid Traditional Name: 4-[[2-butoxy-6-(trioxidanylthio)-1-naphthyl]azo]besylic acid Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=C(C=C1)C=C(C=C2)SOOO)N=NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=C(C2=C(C=C1)C=C(C=C2)SOOO)N=NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C20H20N2O7S2/c1-2-3-12-27-19-11-4-14-13-16(30-29-28-23)7-10-18(14)20(19)22-21-15-5-8-17(9-6-15)31(24,25)26/h4-11,13,23H,2-3,12H2,1H3,(H,24,25,26)