aniline; (2-chloranyl-5-sulfo-phenyl)-methyl-sulfonyl-azanium

Systemtic Name: aniline; (2-chloranyl-5-sulfo-phenyl)-methyl-sulfonyl-azanium Openeye Name: aniline; (2-chloro-5-sulfo-phenyl)-methyl-sulfonyl-ammonium CAS Name: aniline; (2-chloro-5-sulfophenyl)-methyl-sulfonylammonium IUPAC Name: aniline; (2-chloro-5-sulfophenyl)-methyl-sulfonylazanium Traditional Name: (2-chloro-5-sulfo-phenyl)-methyl-sulfonyl-ammonium; phenylamine Formula: C13H14ClN2O5S2+ MolecularWeight: 377.84366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6ClNO5S2.C6H7N/c1-9(15(10)11)7-4-5(16(12,13)14)2-3-6(7)8;7-6-4-2-1-3-5-6/h2-4H,1H3;1-5H,7H2/p+1