2-azanylethanesulfonic acid; 2-azanyl-3-oxidanyl-propanoic acid; 3-(4-hydroxyphenyl)-2-(iodanylamino)propanoic acid

Systemtic Name: 2-azanylethanesulfonic acid; 2-azanyl-3-oxidanyl-propanoic acid; 3-(4-hydroxyphenyl)-2-(iodanylamino)propanoic acid Openeye Name: 2-aminoethanesulfonic acid; 2-amino-3-hydroxy-propanoic acid; 3-(4-hydroxyphenyl)-2-(iodoamino)propanoic acid CAS Name: 2-aminoethanesulfonic acid; 2-amino-3-hydroxypropanoic acid; 3-(4-hydroxyphenyl)-2-(iodoamino)propanoic acid IUPAC Name: 2-aminoethanesulfonic acid; 2-amino-3-hydroxypropanoic acid; 3-(4-hydroxyphenyl)-2-(iodoamino)propanoic acid Traditional Name: 2-aminoethanesulfonic acid; 2-amino-3-hydroxy-propionic acid; 3-(4-hydroxyphenyl)-2-(iodoamino)propionic acid Formula: C14H24IN3O9S MolecularWeight: 537.32453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NI)O.C(CS(=O)(=O)O)N.C(C(C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NI)O.C(CS(=O)(=O)O)N.C(C(C(=O)O)N)O

InChI

InChI=1S/C9H10INO3.C3H7NO3.C2H7NO3S/c10-11-8(9(13)14)5-6-1-3-7(12)4-2-6;4-2(1-5)3(6)7;3-1-2-7(4,5)6/h1-4,8,11-12H,5H2,(H,13,14);2,5H,1,4H2,(H,6,7);1-3H2,(H,4,5,6)