(butylamino-phosphono-pyridin-2-ylsulfinyl-methyl)phosphonic acid

Systemtic Name: (butylamino-phosphono-pyridin-2-ylsulfinyl-methyl)phosphonic acid Openeye Name: [butylamino-phosphono-(2-pyridylsulfinyl)methyl]phosphonic acid CAS Name: [butylamino-phosphono-(2-pyridinylsulfinyl)methyl]phosphonic acid IUPAC Name: (butylamino-phosphono-pyridin-2-ylsulfinylmethyl)phosphonic acid Traditional Name: [butylamino-phosphono-(2-pyridylsulfinyl)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)O)S(=O)C1=CC=CC=N1

Isomeric SMILES

CCCCNC(P(=O)(O)O)(P(=O)(O)O)S(=O)C1=CC=CC=N1

InChI

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