3-azanyl-2-(4-chloranyl-3-oxidanyl-phenyl)propane-1-sulfonic acid

Systemtic Name: 3-azanyl-2-(4-chloranyl-3-oxidanyl-phenyl)propane-1-sulfonic acid Openeye Name: 3-amino-2-(4-chloro-3-hydroxy-phenyl)propane-1-sulfonic acid CAS Name: 3-amino-2-(4-chloro-3-hydroxyphenyl)-1-propanesulfonic acid IUPAC Name: 3-amino-2-(4-chloro-3-hydroxyphenyl)propane-1-sulfonic acid Traditional Name: 3-amino-2-(4-chloro-3-hydroxy-phenyl)propane-1-sulfonic acid Formula: C9H12ClNO4S MolecularWeight: 265.71388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CN)CS(=O)(=O)O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(CN)CS(=O)(=O)O)O)Cl

InChI

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