(2S)-3-azaniumyl-2-(4-chlorophenyl)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: (2S)-3-azaniumyl-2-(4-chlorophenyl)-2-oxidanyl-propane-1-sulfonate Openeye Name: (2S)-3-azaniumyl-2-(4-chlorophenyl)-2-hydroxy-propane-1-sulfonate CAS Name: (2S)-3-ammonio-2-(4-chlorophenyl)-2-hydroxy-1-propanesulfonate IUPAC Name: (2S)-3-azaniumyl-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonate Traditional Name: (2S)-3-ammonio-2-(4-chlorophenyl)-2-hydroxy-propane-1-sulfonate Formula: C9H12ClNO4S MolecularWeight: 265.71388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[NH3+])(CS(=O)(=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1[C@](C[NH3+])(CS(=O)(=O)[O-])O)Cl

InChI

InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)/t9-/m0/s1