1,1,3-tris(oxidanylidene)-2-[3-(2-sulfosulfanylethylamino)propyl]-1,2-benzothiazole

Systemtic Name: 1,1,3-tris(oxidanylidene)-2-[3-(2-sulfosulfanylethylamino)propyl]-1,2-benzothiazole Openeye Name: 1,1,3-trioxo-2-[3-(2-sulfosulfanylethylamino)propyl]-1,2-benzothiazole CAS Name: 1,1,3-trioxo-2-[3-[2-(sulfothio)ethylamino]propyl]-1,2-benzothiazole IUPAC Name: 1,1,3-trioxo-2-[3-(2-sulfosulfanylethylamino)propyl]-1,2-benzothiazole Traditional Name: 1,1,3-triketo-2-[3-[2-(sulfothio)ethylamino]propyl]-1,2-benzothiazole Formula: C12H16N2O6S3 MolecularWeight: 380.46024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCNCCSS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCNCCSS(=O)(=O)O

InChI

InChI=1S/C12H16N2O6S3/c15-12-10-4-1-2-5-11(10)22(16,17)14(12)8-3-6-13-7-9-21-23(18,19)20/h1-2,4-5,13H,3,6-9H2,(H,18,19,20)