N-(2-oxidanylsulfonothioyloxy-2-phenyl-ethyl)butan-1-amine

Systemtic Name: N-(2-oxidanylsulfonothioyloxy-2-phenyl-ethyl)butan-1-amine Openeye Name: N-(2-hydroxysulfonothioyloxy-2-phenyl-ethyl)butan-1-amine CAS Name: N-(2-hydroxysulfonothioyloxy-2-phenylethyl)-1-butanamine IUPAC Name: N-(2-hydroxysulfonothioyloxy-2-phenylethyl)butan-1-amine Traditional Name: butyl-(2-hydroxysulfonothioyloxy-2-phenyl-ethyl)amine Formula: C12H19NO3S2 MolecularWeight: 289.41416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(C1=CC=CC=C1)OS(=O)(=S)O

Isomeric SMILES

CCCCNCC(C1=CC=CC=C1)OS(=O)(=S)O

InChI

InChI=1S/C12H19NO3S2/c1-2-3-9-13-10-12(16-18(14,15)17)11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,14,15,17)