2-azanyl-3,6-dimethyl-4-phosphono-benzenesulfonic acid

Systemtic Name: 2-azanyl-3,6-dimethyl-4-phosphono-benzenesulfonic acid Openeye Name: 2-amino-3,6-dimethyl-4-phosphono-benzenesulfonic acid CAS Name: 2-amino-3,6-dimethyl-4-phosphonobenzenesulfonic acid IUPAC Name: 2-amino-3,6-dimethyl-4-phosphonobenzenesulfonic acid Traditional Name: 2-amino-3,6-dimethyl-4-phosphono-besylic acid Formula: C8H12NO6PS MolecularWeight: 281.222741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)O)N)C)P(=O)(O)O

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)O)N)C)P(=O)(O)O

InChI

InChI=1S/C8H12NO6PS/c1-4-3-6(16(10,11)12)5(2)7(9)8(4)17(13,14)15/h3H,9H2,1-2H3,(H2,10,11,12)(H,13,14,15)