potassium (2S)-1-(propan-2-ylamino)-3-(4-sulfooxyphenoxy)propan-2-olate

Systemtic Name: potassium (2S)-1-(propan-2-ylamino)-3-(4-sulfooxyphenoxy)propan-2-olate Openeye Name: potassium (2S)-1-(isopropylamino)-3-(4-sulfooxyphenoxy)propan-2-olate CAS Name: potassium (2S)-1-(propan-2-ylamino)-3-(4-sulfooxyphenoxy)-2-propanolate IUPAC Name: potassium (2S)-1-(propan-2-ylamino)-3-(4-sulfooxyphenoxy)propan-2-olate Traditional Name: potassium (2S)-1-(isopropylamino)-3-(4-sulfoxyphenoxy)propan-2-olate Formula: C12H18KNO6S MolecularWeight: 343.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)OS(=O)(=O)O)[O-].[K+]

Isomeric SMILES

CC(C)NC[C@@H](COC1=CC=C(C=C1)OS(=O)(=O)O)[O-].[K+]

InChI

InChI=1S/C12H18NO6S.K/c1-9(2)13-7-10(14)8-18-11-3-5-12(6-4-11)19-20(15,16)17;/h3-6,9-10,13H,7-8H2,1-2H3,(H,15,16,17);/q-1;+1/t10-;/m0./s1