2-chloranylaniline; methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-azanium

Systemtic Name: 2-chloranylaniline; methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-azanium Openeye Name: 2-chloroaniline; methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-ammonium CAS Name: 2-chloroaniline; methyl-(4-phenoxy-3-sulfophenyl)-sulfonylammonium IUPAC Name: 2-chloroaniline; methyl-(4-phenoxy-3-sulfophenyl)-sulfonylazanium Traditional Name: (2-chlorophenyl)amine; methyl-(4-phenoxy-3-sulfo-phenyl)-sulfonyl-ammonium Formula: C19H18ClN2O6S2+ MolecularWeight: 469.93902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO6S2.C6H6ClN/c1-14(21(15)16)10-7-8-12(13(9-10)22(17,18)19)20-11-5-3-2-4-6-11;7-5-3-1-2-4-6(5)8/h2-9H,1H3;1-4H,8H2/p+1