2-azanyl-5-(2-sulfanylethylamino)benzene-1,4-disulfonic acid

Systemtic Name: 2-azanyl-5-(2-sulfanylethylamino)benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-(2-sulfanylethylamino)benzene-1,4-disulfonic acid CAS Name: 2-amino-5-(2-mercaptoethylamino)benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-(2-sulfanylethylamino)benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-(2-mercaptoethylamino)benzene-1,4-disulfonic acid Formula: C8H12N2O6S3 MolecularWeight: 328.38568

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)O)NCCS)S(=O)(=O)O)N

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)O)NCCS)S(=O)(=O)O)N

InChI

InChI=1S/C8H12N2O6S3/c9-5-3-8(19(14,15)16)6(10-1-2-17)4-7(5)18(11,12)13/h3-4,10,17H,1-2,9H2,(H,11,12,13)(H,14,15,16)