3-(methylamino)-4-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 3-(methylamino)-4-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 3-(methylamino)-4-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 3-(methylamino)-4-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 3-(methylamino)-4-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 3-(methylamino)-4-(trioxidanylthio)besylic acid Formula: C7H9NO6S2 MolecularWeight: 267.27946

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)S(=O)(=O)O)SOOO

Isomeric SMILES

CNC1=C(C=CC(=C1)S(=O)(=O)O)SOOO

InChI

InChI=1S/C7H9NO6S2/c1-8-6-4-5(16(10,11)12)2-3-7(6)15-14-13-9/h2-4,8-9H,1H3,(H,10,11,12)