[4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] hydrogen sulfate

Systemtic Name: [4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl] hydrogen sulfate Openeye Name: [4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl] ester IUPAC Name: [4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]phenyl] ester Formula: C12H19NO6S MolecularWeight: 305.34736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)OS(=O)(=O)O)O

Isomeric SMILES

CC(C)NC[C@@H](COC1=CC=C(C=C1)OS(=O)(=O)O)O

InChI

InChI=1S/C12H19NO6S/c1-9(2)13-7-10(14)8-18-11-3-5-12(6-4-11)19-20(15,16)17/h3-6,9-10,13-14H,7-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1