[[2-methoxy-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]amino]methanesulfonic acid

Systemtic Name: [[2-methoxy-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]phenyl]amino]methanesulfonic acid Openeye Name: [2-methoxy-4-[3-(trioxidanylsulfanyl)phenyl]azo-anilino]methanesulfonic acid CAS Name: [2-methoxy-4-[3-(trioxidanylthio)phenyl]azoanilino]methanesulfonic acid IUPAC Name: [2-methoxy-4-[[3-(trioxidanylsulfanyl)phenyl]diazenyl]anilino]methanesulfonic acid Traditional Name: [2-methoxy-4-[3-(trioxidanylthio)phenyl]azo-anilino]methanesulfonic acid Formula: C14H15N3O7S2 MolecularWeight: 401.4148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)SOOO)NCS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)SOOO)NCS(=O)(=O)O

InChI

InChI=1S/C14H15N3O7S2/c1-22-14-8-11(5-6-13(14)15-9-26(19,20)21)17-16-10-3-2-4-12(7-10)25-24-23-18/h2-8,15,18H,9H2,1H3,(H,19,20,21)