2-[(2-oxidanyl-4-phenyl-butyl)amino]ethyl hydrogen sulfate

Systemtic Name: 2-[(2-oxidanyl-4-phenyl-butyl)amino]ethyl hydrogen sulfate Openeye Name: 2-[(2-hydroxy-4-phenyl-butyl)amino]ethyl hydrogen sulfate CAS Name: sulfuric acid 2-[(2-hydroxy-4-phenylbutyl)amino]ethyl ester IUPAC Name: 2-[(2-hydroxy-4-phenylbutyl)amino]ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[(2-hydroxy-4-phenyl-butyl)amino]ethyl ester Formula: C12H19NO5S MolecularWeight: 289.34796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CNCCOS(=O)(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CNCCOS(=O)(=O)O)O

InChI

InChI=1S/C12H19NO5S/c14-12(7-6-11-4-2-1-3-5-11)10-13-8-9-18-19(15,16)17/h1-5,12-14H,6-10H2,(H,15,16,17)