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

Systemtic Name: 2-azanyl-5-(sulfanylmethyl)benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-(sulfanylmethyl)benzene-1,4-disulfonic acid CAS Name: 2-amino-5-(mercaptomethyl)benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-(sulfanylmethyl)benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-(mercaptomethyl)benzene-1,4-disulfonic acid Formula: C7H9NO6S3 MolecularWeight: 299.34446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9NO6S3/c8-5-2-6(16(9,10)11)4(3-15)1-7(5)17(12,13)14/h1-2,15H,3,8H2,(H,9,10,11)(H,12,13,14)