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

Systemtic Name: 3-[(2-oxidanyl-3-prop-2-enoxy-propyl)amino]benzenesulfonic acid Openeye Name: 3-[(3-allyloxy-2-hydroxy-propyl)amino]benzenesulfonic acid CAS Name: 3-[(2-hydroxy-3-prop-2-enoxypropyl)amino]benzenesulfonic acid IUPAC Name: 3-[(2-hydroxy-3-prop-2-enoxypropyl)amino]benzenesulfonic acid Traditional Name: 3-[(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=C1)S(=O)(=O)O)O

Isomeric SMILES

C=CCOCC(CNC1=CC(=CC=C1)S(=O)(=O)O)O

InChI

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