methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-azanium

Systemtic Name: methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-azanium Openeye Name: methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-ammonium CAS Name: methyl-(4-phenoxy-3-sulfophenyl)-sulfonylammonium IUPAC Name: methyl-(4-phenoxy-3-sulfophenyl)-sulfonylazanium Traditional Name: methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-ammonium Formula: C13H12NO6S2+ MolecularWeight: 342.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](=S(=O)=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

C[N+](=S(=O)=O)C1=CC(=C(C=C1)OC2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C13H11NO6S2/c1-14(21(15)16)10-7-8-12(13(9-10)22(17,18)19)20-11-5-3-2-4-6-11/h2-9H,1H3/p+1