1-[2-(2-sulfosulfanylethylamino)ethoxy]isoquinoline

Systemtic Name: 1-[2-(2-sulfosulfanylethylamino)ethoxy]isoquinoline Openeye Name: 1-[2-(2-sulfosulfanylethylamino)ethoxy]isoquinoline CAS Name: 1-[2-[2-(sulfothio)ethylamino]ethoxy]isoquinoline IUPAC Name: 1-[2-(2-sulfosulfanylethylamino)ethoxy]isoquinoline Traditional Name: 1-[2-[2-(sulfothio)ethylamino]ethoxy]isoquinoline Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2OCCNCCSS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2OCCNCCSS(=O)(=O)O

InChI

InChI=1S/C13H16N2O4S2/c16-21(17,18)20-10-8-14-7-9-19-13-12-4-2-1-3-11(12)5-6-15-13/h1-6,14H,7-10H2,(H,16,17,18)