[butylamino-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanyloxy-oxidanyl-phosphoryl]methyl]phosphonic acid

Systemtic Name: [butylamino-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanyloxy-oxidanyl-phosphoryl]methyl]phosphonic acid Openeye Name: [butylamino-[hydroxy-(1-oxidopyridin-1-ium-2-yl)sulfanyloxy-phosphoryl]methyl]phosphonic acid CAS Name: [butylamino-[hydroxy-[(1-oxido-2-pyridin-1-iumyl)thio]oxyphosphoryl]methyl]phosphonic acid IUPAC Name: [butylamino-[hydroxy-(1-oxidopyridin-1-ium-2-yl)sulfanyloxyphosphoryl]methyl]phosphonic acid Traditional Name: [butylamino-[hydroxy-[(1-oxidopyridin-1-ium-2-yl)thio]oxy-phosphoryl]methyl]phosphonic acid Formula: C10H18N2O7P2S MolecularWeight: 372.271642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(P(=O)(O)O)P(=O)(O)OSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CCCCNC(P(=O)(O)O)P(=O)(O)OSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C10H18N2O7P2S/c1-2-3-7-11-10(20(14,15)16)21(17,18)19-22-9-6-4-5-8-12(9)13/h4-6,8,10-11H,2-3,7H2,1H3,(H,17,18)(H2,14,15,16)