4-azanyl-4,4-diphosphono-butane-1-sulfonic acid

Systemtic Name: 4-azanyl-4,4-diphosphono-butane-1-sulfonic acid Openeye Name: 4-amino-4,4-diphosphono-butane-1-sulfonic acid CAS Name: 4-amino-4,4-diphosphono-1-butanesulfonic acid IUPAC Name: 4-amino-4,4-diphosphonobutane-1-sulfonic acid Traditional Name: 4-amino-4,4-diphosphono-butane-1-sulfonic acid Formula: C4H13NO9P2S MolecularWeight: 313.159842

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(N)(P(=O)(O)O)P(=O)(O)O)CS(=O)(=O)O

Isomeric SMILES

C(CC(N)(P(=O)(O)O)P(=O)(O)O)CS(=O)(=O)O

InChI

InChI=1S/C4H13NO9P2S/c5-4(15(6,7)8,16(9,10)11)2-1-3-17(12,13)14/h1-3,5H2,(H2,6,7,8)(H2,9,10,11)(H,12,13,14)