3-azanyl-4-(1-phosphonoethylsulfonyl)benzenesulfonic acid

Systemtic Name: 3-azanyl-4-(1-phosphonoethylsulfonyl)benzenesulfonic acid Openeye Name: 3-amino-4-(1-phosphonoethylsulfonyl)benzenesulfonic acid CAS Name: 3-amino-4-(1-phosphonoethylsulfonyl)benzenesulfonic acid IUPAC Name: 3-amino-4-(1-phosphonoethylsulfonyl)benzenesulfonic acid Traditional Name: 3-amino-4-(1-phosphonoethylsulfonyl)besylic acid Formula: C8H12NO8PS2 MolecularWeight: 345.286541

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Descriptors Computed from Structure

Canonical SMILES:

CC(P(=O)(O)O)S(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)O)N

Isomeric SMILES

CC(P(=O)(O)O)S(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C8H12NO8PS2/c1-5(18(10,11)12)19(13,14)8-3-2-6(4-7(8)9)20(15,16)17/h2-5H,9H2,1H3,(H2,10,11,12)(H,15,16,17)