dihydrogen phosphate; 4-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium

Systemtic Name: dihydrogen phosphate; 4-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium Openeye Name: dihydrogen phosphate; 4-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium CAS Name: dihydrogen phosphate; 4-[2-[(4-nitrophenyl)thio]ethyl]pyridin-1-ium IUPAC Name: dihydrogen phosphate; 4-[2-(4-nitrophenyl)sulfanylethyl]pyridin-1-ium Traditional Name: dihydrogen phosphate; 4-[2-[(4-nitrophenyl)thio]ethyl]pyridin-1-ium Formula: C13H15N2O6PS MolecularWeight: 358.306761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SCCC2=CC=[NH+]C=C2.OP(=O)(O)[O-]

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SCCC2=CC=[NH+]C=C2.OP(=O)(O)[O-]

InChI

InChI=1S/C13H12N2O2S.H3O4P/c16-15(17)12-1-3-13(4-2-12)18-10-7-11-5-8-14-9-6-11;1-5(2,3)4/h1-6,8-9H,7,10H2;(H3,1,2,3,4)