[butylamino-phosphono-(1,3-thiazol-2-ylsulfanyl)methyl]phosphonic acid

Systemtic Name: [butylamino-phosphono-(1,3-thiazol-2-ylsulfanyl)methyl]phosphonic acid Openeye Name: (butylamino-phosphono-thiazol-2-ylsulfanyl-methyl)phosphonic acid CAS Name: [butylamino-phosphono-(2-thiazolylthio)methyl]phosphonic acid IUPAC Name: [butylamino-phosphono-(1,3-thiazol-2-ylsulfanyl)methyl]phosphonic acid Traditional Name: [butylamino-phosphono-(thiazol-2-ylthio)methyl]phosphonic acid Formula: C8H16N2O6P2S2 MolecularWeight: 362.299962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(P(=O)(O)O)(P(=O)(O)O)SC1=NC=CS1

Isomeric SMILES

CCCCNC(P(=O)(O)O)(P(=O)(O)O)SC1=NC=CS1

InChI

InChI=1S/C8H16N2O6P2S2/c1-2-3-4-10-8(17(11,12)13,18(14,15)16)20-7-9-5-6-19-7/h5-6,10H,2-4H2,1H3,(H2,11,12,13)(H2,14,15,16)