2-[(2-oxidanyl-3-prop-2-enoxy-propyl)amino]benzenesulfonic acid

Systemtic Name: 2-[(2-oxidanyl-3-prop-2-enoxy-propyl)amino]benzenesulfonic acid Openeye Name: 2-[(3-allyloxy-2-hydroxy-propyl)amino]benzenesulfonic acid CAS Name: 2-[(2-hydroxy-3-prop-2-enoxypropyl)amino]benzenesulfonic acid IUPAC Name: 2-[(2-hydroxy-3-prop-2-enoxypropyl)amino]benzenesulfonic acid Traditional Name: 2-[(3-allyloxy-2-hydroxy-propyl)amino]besylic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCC(CNC1=CC=CC=C1S(=O)(=O)O)O

Isomeric SMILES

C=CCOCC(CNC1=CC=CC=C1S(=O)(=O)O)O

InChI

InChI=1S/C12H17NO5S/c1-2-7-18-9-10(14)8-13-11-5-3-4-6-12(11)19(15,16)17/h2-6,10,13-14H,1,7-9H2,(H,15,16,17)