2-azanyl-5-ethyl-4-phosphono-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-ethyl-4-phosphono-benzenesulfonic acid Openeye Name: 2-amino-5-ethyl-4-phosphono-benzenesulfonic acid CAS Name: 2-amino-5-ethyl-4-phosphonobenzenesulfonic acid IUPAC Name: 2-amino-5-ethyl-4-phosphonobenzenesulfonic acid Traditional Name: 2-amino-5-ethyl-4-phosphono-besylic acid Formula: C8H12NO6PS MolecularWeight: 281.222741

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1P(=O)(O)O)N)S(=O)(=O)O

Isomeric SMILES

CCC1=CC(=C(C=C1P(=O)(O)O)N)S(=O)(=O)O

InChI

InChI=1S/C8H12NO6PS/c1-2-5-3-8(17(13,14)15)6(9)4-7(5)16(10,11)12/h3-4H,2,9H2,1H3,(H2,10,11,12)(H,13,14,15)