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2-(3-phenoxyphenyl)butan-1-amine sulfate

2-(3-phenoxyphenyl)butan-1-amine sulfate

Systemtic Name:2-(3-phenoxyphenyl)butan-1-amine sulfate
Openeye Name:2-(3-phenoxyphenyl)butan-1-amine sulfate
CAS Name:2-(3-phenoxyphenyl)-1-butanamine sulfate
IUPAC Name:2-(3-phenoxyphenyl)butan-1-amine sulfate
Traditional Name:2-(3-phenoxyphenyl)butylamine sulfate
Formula: C16H19NO5S-2
MolecularWeight: 337.39076
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN)C1=CC(=CC=C1)OC2=CC=CC=C2.[O-]S(=O)(=O)[O-]


Isomeric SMILES

CCC(CN)C1=CC(=CC=C1)OC2=CC=CC=C2.[O-]S(=O)(=O)[O-]


InChI

InChI=1S/C16H19NO.H2O4S/c1-2-13(12-17)14-7-6-10-16(11-14)18-15-8-4-3-5-9-15;1-5(2,3)4/h3-11,13H,2,12,17H2,1H3;(H2,1,2,3,4)/p-2


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