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2-[2-(3-methoxyphenyl)butylamino]ethanethiol; sulfuric acid

2-[2-(3-methoxyphenyl)butylamino]ethanethiol; sulfuric acid

Systemtic Name:2-[2-(3-methoxyphenyl)butylamino]ethanethiol; sulfuric acid
Openeye Name:2-[2-(3-methoxyphenyl)butylamino]ethanethiol; sulfuric acid
CAS Name:2-[2-(3-methoxyphenyl)butylamino]ethanethiol; sulfuric acid
IUPAC Name:2-[2-(3-methoxyphenyl)butylamino]ethanethiol; sulfuric acid
Traditional Name:2-[2-(3-methoxyphenyl)butylamino]ethanethiol; sulfuric acid
Formula: C13H23NO5S2
MolecularWeight: 337.45542
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCS)C1=CC(=CC=C1)OC.OS(=O)(=O)O


Isomeric SMILES

CCC(CNCCS)C1=CC(=CC=C1)OC.OS(=O)(=O)O


InChI

InChI=1S/C13H21NOS.H2O4S/c1-3-11(10-14-7-8-16)12-5-4-6-13(9-12)15-2;1-5(2,3)4/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3;(H2,1,2,3,4)


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