4-azanyl-6-(2-phosphonoethylsulfonyl)benzene-1,3-disulfonic acid

Systemtic Name: 4-azanyl-6-(2-phosphonoethylsulfonyl)benzene-1,3-disulfonic acid Openeye Name: 4-amino-6-(2-phosphonoethylsulfonyl)benzene-1,3-disulfonic acid CAS Name: 4-amino-6-(2-phosphonoethylsulfonyl)benzene-1,3-disulfonic acid IUPAC Name: 4-amino-6-(2-phosphonoethylsulfonyl)benzene-1,3-disulfonic acid Traditional Name: 4-amino-6-(2-phosphonoethylsulfonyl)benzene-1,3-disulfonic acid Formula: C8H12NO11PS3 MolecularWeight: 425.349741

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)CCP(=O)(O)O)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)CCP(=O)(O)O)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C8H12NO11PS3/c9-5-3-7(22(13,14)2-1-21(10,11)12)8(24(18,19)20)4-6(5)23(15,16)17/h3-4H,1-2,9H2,(H2,10,11,12)(H,15,16,17)(H,18,19,20)