2-[4-(4-methoxyphenyl)butylamino]ethanethiol; sulfurothioic O-acid

Systemtic Name: 2-[4-(4-methoxyphenyl)butylamino]ethanethiol; sulfurothioic O-acid Openeye Name: 2-[4-(4-methoxyphenyl)butylamino]ethanethiol; sulfurothioic O-acid CAS Name: 2-[4-(4-methoxyphenyl)butylamino]ethanethiol; sulfurothioic O-acid IUPAC Name: 2-[4-(4-methoxyphenyl)butylamino]ethanethiol; sulfurothioic O-acid Traditional Name: 2-[4-(4-methoxyphenyl)butylamino]ethanethiol; sulfurothioic O-acid Formula: C13H23NO4S3 MolecularWeight: 353.52102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCCCNCCS.OS(=O)(=S)O

Isomeric SMILES

COC1=CC=C(C=C1)CCCCNCCS.OS(=O)(=S)O

InChI

InChI=1S/C13H21NOS.H2O3S2/c1-15-13-7-5-12(6-8-13)4-2-3-9-14-10-11-16;1-5(2,3)4/h5-8,14,16H,2-4,9-11H2,1H3;(H2,1,2,3,4)