2-[(4-azanyl-4-azanylidene-butyl)amino]ethylsulfanylphosphonic acid

Systemtic Name: 2-[(4-azanyl-4-azanylidene-butyl)amino]ethylsulfanylphosphonic acid Openeye Name: 2-[(4-amino-4-imino-butyl)amino]ethylsulfanylphosphonic acid CAS Name: [2-[(4-amino-4-iminobutyl)amino]ethylthio]phosphonic acid IUPAC Name: 2-[(4-amino-4-iminobutyl)amino]ethylsulfanylphosphonic acid Traditional Name: [2-[(4-amino-4-imino-butyl)amino]ethylthio]phosphonic acid Formula: C6H16N3O3PS MolecularWeight: 241.248301

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=N)N)CNCCSP(=O)(O)O

Isomeric SMILES

C(CC(=N)N)CNCCSP(=O)(O)O

InChI

InChI=1S/C6H16N3O3PS/c7-6(8)2-1-3-9-4-5-14-13(10,11)12/h9H,1-5H2,(H3,7,8)(H2,10,11,12)