3-[[8-oxidanyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[8-oxidanyl-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid Openeye Name: 3-[[8-hydroxy-6-(trioxidanylsulfanyl)-2-naphthyl]amino]benzenesulfonic acid CAS Name: 3-[[8-hydroxy-6-(trioxidanylthio)-2-naphthalenyl]amino]benzenesulfonic acid IUPAC Name: 3-[[8-hydroxy-6-(trioxidanylsulfanyl)naphthalen-2-yl]amino]benzenesulfonic acid Traditional Name: 3-[[8-hydroxy-6-(trioxidanylthio)-2-naphthyl]amino]besylic acid Formula: C16H13NO7S2 MolecularWeight: 395.40692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC3=C(C=C(C=C3C=C2)SOOO)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)NC2=CC3=C(C=C(C=C3C=C2)SOOO)O

InChI

InChI=1S/C16H13NO7S2/c18-16-9-13(25-24-23-19)6-10-4-5-12(8-15(10)16)17-11-2-1-3-14(7-11)26(20,21)22/h1-9,17-19H,(H,20,21,22)