2-(azepan-1-yl)-1-phosphono-ethanesulfonic acid

Systemtic Name: 2-(azepan-1-yl)-1-phosphono-ethanesulfonic acid Openeye Name: 2-(azepan-1-yl)-1-phosphono-ethanesulfonic acid CAS Name: 2-(1-azepanyl)-1-phosphonoethanesulfonic acid IUPAC Name: 2-(azepan-1-yl)-1-phosphonoethanesulfonic acid Traditional Name: 2-(azepan-1-yl)-1-phosphono-ethanesulfonic acid Formula: C8H18NO6PS MolecularWeight: 287.270381

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1CCCN(CC1)CC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C8H18NO6PS/c10-16(11,12)8(17(13,14)15)7-9-5-3-1-2-4-6-9/h8H,1-7H2,(H2,10,11,12)(H,13,14,15)