[5-(2-azanylpropyl)-2-oxidanyl-phenyl] hydrogen sulfate

Systemtic Name: [5-(2-azanylpropyl)-2-oxidanyl-phenyl] hydrogen sulfate Openeye Name: [5-(2-aminopropyl)-2-hydroxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [5-(2-aminopropyl)-2-hydroxyphenyl] ester IUPAC Name: [5-(2-aminopropyl)-2-hydroxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [5-(2-aminopropyl)-2-hydroxy-phenyl] ester Formula: C9H13NO5S MolecularWeight: 247.26822

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OS(=O)(=O)O)N

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)OS(=O)(=O)O)N

InChI

InChI=1S/C9H13NO5S/c1-6(10)4-7-2-3-8(11)9(5-7)15-16(12,13)14/h2-3,5-6,11H,4,10H2,1H3,(H,12,13,14)