aniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonyl-azanium

Systemtic Name: aniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonyl-azanium Openeye Name: aniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonyl-ammonium CAS Name: aniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonylammonium IUPAC Name: aniline; ethyl-[3-(sulfomethyl)phenyl]-sulfonylazanium Traditional Name: ethyl-[3-(sulfomethyl)phenyl]-sulfonyl-ammonium; phenylamine Formula: C15H19N2O5S2+ MolecularWeight: 371.45176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO5S2.C6H7N/c1-2-10(16(11)12)9-5-3-4-8(6-9)7-17(13,14)15;7-6-4-2-1-3-5-6/h3-6H,2,7H2,1H3;1-5H,7H2/p+1