5-azanyl-4-methyl-benzene-1,3-disulfonic acid

Systemtic Name: 5-azanyl-4-methyl-benzene-1,3-disulfonic acid Openeye Name: 5-amino-4-methyl-benzene-1,3-disulfonic acid CAS Name: 5-amino-4-methylbenzene-1,3-disulfonic acid IUPAC Name: 5-amino-4-methylbenzene-1,3-disulfonic acid Traditional Name: 5-amino-4-methyl-benzene-1,3-disulfonic acid Formula: C7H9NO6S2 MolecularWeight: 267.27946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C7H9NO6S2/c1-4-6(8)2-5(15(9,10)11)3-7(4)16(12,13)14/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14)